Juan Casado - Publications

Affiliations: 
1999 University of Malaga, Spain 

118 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Vicent DJ, Pérez-Escribano M, Cárdenas-Valdivia A, Barragán A, Calbo J, Urgel JI, Écija D, Santos J, Casado J, Ortí E, Martín N. Dimeric tetrabromo--quinodimethanes: synthesis and structural/electronic properties. Chemical Science. 14: 10112-10120. PMID 37772123 DOI: 10.1039/d3sc01615c  0.402
2023 Diaz-Andres A, Marín-Beloqui J, Wang J, Liu J, Casado J, Casanova D. Rational design of anti-Kasha photoemission from a biazulene core embedded in an antiaromatic/aromatic hybrid. Chemical Science. 14: 6420-6429. PMID 37325150 DOI: 10.1039/d3sc00405h  0.344
2023 Izquierdo-García P, Fernández-García JM, Medina Rivero S, Šámal M, Rybáček J, Bednárová L, Ramírez-Barroso S, Ramírez FJ, Rodríguez R, Perles J, García-Fresnadillo D, Crassous J, Casado J, Stará IG, Martín N. Helical Bilayer Nanographenes: Impact of the Helicene Length on the Structural, Electrochemical, Photophysical, and Chiroptical Properties. Journal of the American Chemical Society. PMID 37129470 DOI: 10.1021/jacs.3c01088  0.305
2023 Miao F, Ji Y, Han B, Quintero SM, Chen H, Xue G, Cai L, Casado J, Zheng Y. Asymmetric and zwitterionic Blatter diradicals. Chemical Science. 14: 2698-2705. PMID 36908964 DOI: 10.1039/d3sc00367a  0.362
2023 Cardenas Valdivia A, Dai Y, Rambaldi F, Barker JE, Dressler JJ, Zhou Z, Zhu Y, Wei Z, Petrukhina MA, Haley MM, Negri F, Casado J. Orbital Nature of Carboionic Monoradicals Made from Diradicals. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36749878 DOI: 10.1002/chem.202300388  0.416
2023 Wang J, Gámez FG, Marín-Beloqui J, Diaz-Andres A, Miao X, Casanova D, Casado J, Liu J. Synthesis of a Dicyclohepta[a,g]heptalene-Containing Polycyclic Conjugated Hydrocarbon and the Impact of Non-Alternant Topologies. Angewandte Chemie (International Ed. in English). 62: e202217124. PMID 36511094 DOI: 10.1002/anie.202217124  0.33
2022 Palomo L, Favereau L, Senthilkumar K, Stępień M, Casado J, Ramirez FJ. Simultaneous Detection of Circularly Polarized Luminescence and Raman Optical Activity in an Organic Molecular Lemniscate. Angewandte Chemie (International Ed. in English). PMID 35785514 DOI: 10.1002/anie.202206976  0.32
2022 Casado J, Mori S, Moles Quintero S, Tabaka N, Kishi R, González Núñez R, Harbuzaru A, Ponce R, Marin Beloqui J, Suzuki S, Kitamura C, Gómez C, Dai Y, Negri F, Nakano M, et al. Medium Diradical Character, Small Hole and Electron Reorganization Energies and Ambipolar Transistors in Difluorenoheteroles. Angewandte Chemie (International Ed. in English). PMID 35696258 DOI: 10.1002/anie.202206680  0.326
2021 Palomo L, Gordillo Gámez F, Bedi A, Gidron O, Casado J, Ramírez FJ. Raman and ROA analyses of twisted anthracenes: connecting vibrational and electronic/photonic structures. Physical Chemistry Chemical Physics : Pccp. 23: 13996-14003. PMID 34151326 DOI: 10.1039/d1cp01505b  0.39
2020 Guijarro FG, Medina Rivero S, Gunasekaran S, Arretxea I, Ponce Ortiz R, Caballero R, de la Cruz P, Langa F, Venkataraman L, Casado J. Synthesis and electronic properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers. Rsc Advances. 10: 41264-41271. PMID 35516533 DOI: 10.1039/d0ra08220a  0.773
2020 Hayashi H, Barker JE, Cárdenas Valdivia A, Kishi R, MacMillan SN, Gómez-García CJ, Miyauchi H, Nakamura Y, Nakano M, Kato SI, Haley MM, Casado J. Monoradicals and Diradicals of Dibenzofluoreno[3,2-]fluorene Isomers: Mechanisms of Electronic Delocalization. Journal of the American Chemical Society. PMID 33206516 DOI: 10.1021/jacs.0c09588  0.405
2019 Hacker AS, Pavano M, Wood JE, Hashimoto H, D'Ambrosio KM, Frederickson CK, Zafra JL, Gómez-García CJ, Postils V, Ringer McDonald A, Casanova D, Frantz DK, Casado J. Fluoreno[2,1-a]fluorene: an ortho-naphthoquinodimethane-based system with partial diradical character. Chemical Communications (Cambridge, England). PMID 31701965 DOI: 10.1039/c9cc07474k  0.349
2019 Kim J, Oh J, Park S, Zafra JL, DeFrancisco JR, Casanova D, Lim M, Tovar JD, Casado J, Kim D. Two-electron transfer stabilized by excited-state aromatization. Nature Communications. 10: 4983. PMID 31676760 DOI: 10.1038/S41467-019-12986-W  0.352
2019 Casado J, Mayorga Burrezo P, Zeng W, Moos M, Holzapfel M, Canola S, Negri F, Rovira C, Veciana J, Phan H, Wu J, Lambert C. Perylene π-Bridges that Equally Delocalize Anions and Cations: Quinoidal and Aromatic Contents in the Right Proportion. Angewandte Chemie (International Ed. in English). PMID 31322792 DOI: 10.1002/Anie.201905657  0.337
2019 Sandoval-Salinas ME, Carreras A, Casado J, Casanova D. Singlet fission in spiroconjugated dimers. The Journal of Chemical Physics. 150: 204306. PMID 31153213 DOI: 10.1063/1.5097048  0.344
2019 Senthilkumar K, Kondratowicz M, Lis T, Chmielewski PJ, Cybinska J, Zafra JL, Casado J, Vives T, Crassous J, Favereau L, Stępień M. Lemniscular [16]Cycloparaphenylene: a Radially Conjugated Figure-Eight Aromatic Molecule. Journal of the American Chemical Society. PMID 30998349 DOI: 10.1021/Jacs.9B01797  0.303
2019 Medina Rivero S, Canola S, Zeng W, Ramírez FJ, Zafra JL, Wu J, Negri F, Casado J. Long rylene nanoribbons express polyacetylene-like signatures at their edges. Physical Chemistry Chemical Physics : Pccp. PMID 30860226 DOI: 10.1039/C9Cp00679F  0.307
2018 Dressler JJ, Teraoka M, Espejo GL, Kishi R, Takamuku S, Gómez-García CJ, Zakharov LN, Nakano M, Casado J, Haley MM. Thiophene and its sulfur inhibit indenoindenodibenzothiophene diradicals from low-energy lying thermal triplets. Nature Chemistry. PMID 30224686 DOI: 10.1038/S41557-018-0133-5  0.357
2018 Casado J, Yuan D, Medina Rivero S, Mayorga Burrezo P, Ren L, Sandoval ME, Grabowski SJ, Casanova D, Zhu X. Thieno[3,4-c]pyrrole-4,6-dione Oligothiophenes Have Two Crossed Paths for Electron Delocalization. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29873847 DOI: 10.1002/chem.201801880  0.432
2018 Casado J, Medina Rivero S, Mayorga Burrezo P, Sandoval ME, Li T, Ramírez Aguilar FJ, Casanova D, Wang X. Isomerism, Diradical Signature and Raman Spectroscopy: Underlying Connections in Diamino Oligophenyl Dications. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29570949 DOI: 10.1002/cphc.201800085  0.427
2018 Wu J, Zeng W, Hong Y, Rivero SM, Kim J, Zafra JL, Phan H, Gopalakrishna TY, Herng TS, Ding J, Casado J, Kim D. Stable Nitrogen-centered Bis(imino)rylene Diradicaloids. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29396877 DOI: 10.1002/Chem.201706041  0.361
2018 Mayorga Burrezo P, Franco C, Caballero R, Mas-Torrent M, Langa F, López Navarrete JT, Rovira C, Veciana J, Casado J. Oligothienylenevinylene Polarons and Bipolarons Confined between Electron-Accepting Perchlorotriphenylmethyl Radicals. Chemistry (Weinheim An Der Bergstrasse, Germany). 24: 3776-3783. PMID 29239499 DOI: 10.1002/Chem.201705080  0.757
2017 Mayorga Burrezo P, Domínguez R, Zafra JL, Pappenfus TM, de la Cruz P, Welte L, Janzen DE, López Navarrete JT, Langa F, Casado J. Oligomers of cyclopentadithiophene-vinylene in aromatic and quinoidal versions and redox species with intermediate forms. Chemical Science. 8: 8106-8114. PMID 29568459 DOI: 10.1039/C7Sc02756G  0.782
2017 Casado J, Desroches M, Mayorga Burrezo P, Boismenu-Lavoie J, Peña Alvarez M, Gómez Garcia C, Mattin Matxain J, Casanova D, Morin JF. Breaking bonds, Forming Nanographene Diradicals with Pressure. Angewandte Chemie (International Ed. in English). PMID 29044965 DOI: 10.1002/Anie.201708740  0.302
2017 Qiu L, Peña-Alvarez M, Taravillo M, Evans PJ, Darzi E, Jasti R, Burrezo PM, López Navarrete JT, Baonza VG, Casado J, Kertesz M. High pressure chemistry and the mechanochemical polymerization of [5]-cyclo-p-phenylene. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28898486 DOI: 10.1002/Chem.201703435  0.716
2017 Wu J, Qi Q, Burrezo PM, Phan H, Herng TS, Gopalakrishna TY, Zeng W, Ding J, Casado J. Ambient Stable Radical Cations, Diradicaloid π-Dimeric Dications, Closed-Shell Dications and Diradical Dications of Methylthio-capped Rylenes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28382693 DOI: 10.1002/Chem.201701102  0.312
2017 Burrezo PM, Lin NT, Nakabayashi K, Ohkoshi SI, Calzado EM, Boj PG, Díaz García MA, Franco C, Rovira C, Veciana J, Moos M, Lambert C, López Navarrete JT, Tsuji H, Nakamura E, ... Casado J, et al. Bis(Aminoaryl) Carbon-Bridged Oligo(phenylenevinylene)s Expand the Limits of Electronic Couplings. Angewandte Chemie (International Ed. in English). PMID 28140501 DOI: 10.1002/Anie.201610921  0.761
2017 Franco C, Burrezo PM, Lloveras V, Caballero R, Alcón I, Bromley ST, Mas-Torrent M, Langa F, López Navarrete JT, Rovira C, Casado J, Veciana J. Operative Mechanism of Hole-Assisted Negative Charge Motion in Ground States of Radical-Anion Molecular Wires. Journal of the American Chemical Society. 139: 686-692. PMID 27997166 DOI: 10.1021/Jacs.6B08649  0.76
2017 Burrezo PM, Zafra JL, López Navarrete JT, Casado J. Quinoidal/Aromatic Transformations in π-Conjugated Oligomers: Vibrational Raman studies on the Limits of Rupture for π-Bonds. Angewandte Chemie (International Ed. in English). 56: 2250-2259. PMID 27862823 DOI: 10.1002/anie.201605893  0.776
2016 Alvarez MP, Ruiz Delgado MC, Taravillo M, Baonza VG, López Navarrete JT, Evans P, Jasti R, Yamago S, Kertesz M, Casado J. The Raman fingerprint of cyclic conjugation: the case of the stabilization of cations and dications in cycloparaphenylenes. Chemical Science. 7: 3494-3499. PMID 29997841 DOI: 10.1039/C6Sc00765A  0.759
2016 Shi X, Quintero E, Lee S, Jing L, Herng TS, Zheng B, Huang KW, López Navarrete JT, Ding J, Kim D, Casado J, Chi C. Benzo-thia-fused []thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity anti-aromaticity. Chemical Science. 7: 3036-3046. PMID 29997794 DOI: 10.1039/C5Sc04706D  0.799
2016 Kawabata K, Osaka I, Sawamoto M, Zafra J, Burrezo PM, Casado J, Takimiya K. Dithienyl Acenedithiophenediones as New π-Extended Quinoidal Cores: Synthesis and Properties. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28000319 DOI: 10.1002/chem.201605104  0.391
2016 Rudebusch GE, Espejo GL, Zafra JL, Peña-Alvarez M, Spisak SN, Fukuda K, Wei Z, Nakano M, Petrukhina MA, Casado J, Haley MM. A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs. Journal of the American Chemical Society. PMID 27573478 DOI: 10.1021/Jacs.6B07882  0.366
2016 Rudebusch GE, Zafra JL, Jorner K, Fukuda K, Marshall JL, Arrechea-Marcos I, Espejo GL, Ponce Ortiz R, Gómez-García CJ, Zakharov LN, Nakano M, Ottosson H, Casado J, Haley MM. Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals. Nature Chemistry. 8: 753-9. PMID 27442280 DOI: 10.1038/Nchem.2518  0.75
2016 Das S, Herng TS, Zafra JL, Burrezo PM, Kitano M, Ishida M, Gopalakrishna TY, Hu P, Osuka A, Casado J, Ding J, Casanova D, Wu J. Fully-fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters. Journal of the American Chemical Society. PMID 27248181 DOI: 10.1021/Jacs.6B04539  0.338
2016 Shen C, Loas G, Srebro-Hooper M, Vanthuyne N, Toupet L, Cador O, Paul F, López Navarrete JT, Ramírez FJ, Nieto-Ortega B, Casado J, Autschbach J, Vallet M, Crassous J. Iron Alkynyl Helicenes: Redox-Triggered Chiroptical Tuning in the IR and Near-IR Spectral Regions and Suitable for Telecommunications Applications. Angewandte Chemie (International Ed. in English). PMID 27193483 DOI: 10.1002/Anie.201601633  0.73
2016 Riaño A, Arrechea-Marcos I, Mancheño MJ, Mayorga Burrezo P, de la Peña A, Loser S, Timalsina A, Facchetti A, Marks TJ, Casado J, López Navarrete JT, Ponce Ortiz R, Segura JL. Benzotrithiophene versus Benzo/Naphthodithiophene Building Blocks: The Effect of Star-Shaped versus Linear Conjugation on Their Electronic Structures. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26999589 DOI: 10.1002/Chem.201504526  0.772
2015 Peña-Alvarez M, Qiu L, Taravillo M, Baonza VG, Delgado MC, Yamago S, Jasti R, Navarrete JT, Casado J, Kertesz M. From linear to cyclic oligoparaphenylenes: electronic and molecular changes traced in the vibrational Raman spectra and reformulation of the bond length alternation pattern. Physical Chemistry Chemical Physics : Pccp. PMID 26649442 DOI: 10.1039/C5Cp05500H  0.354
2015 Moreno-Yruela C, Garin J, Orduna J, Franco S, Quintero E, López Navarrete JT, Diosdado BE, Villacampa B, Casado J, Andreu R. D-pi-A compounds with tunable intramolecular charge transfer achieved by incorporation of butenolide nitriles as acceptor moieties. The Journal of Organic Chemistry. PMID 26588012 DOI: 10.1021/acs.joc.5b02051  0.745
2015 Nieto-Ortega B, Casado J, López Navarrete JT, Ramírez FJ, Tommasini M, Longhi G, Mazzeo G, Abbate S. Understanding the origin of the VCD signals on the basis of a nonredundant coordinate definition. Journal of Chemical Theory and Computation. 11: 2633-41. PMID 26575560 DOI: 10.1021/acs.jctc.5b00106  0.734
2015 Varnavski O, Abeyasinghe N, Aragó J, Serrano-Pérez JJ, Ortí E, López Navarrete JT, Takimiya K, Casanova D, Casado J, Goodson T. High Yield Ultrafast Intramolecular Singlet Exciton Fission in a Quinoidal Bithiophene. The Journal of Physical Chemistry Letters. 6: 1375-84. PMID 26263138 DOI: 10.1021/acs.jpclett.5b00198  0.754
2015 Casado J, Hernández V, López Navarrete JT. Vibrational Raman Shifts and Aromaticity: The Case of Oligothiophenes. Chemical Record (New York, N.Y.). PMID 26202485 DOI: 10.1002/tcr.201500025  0.724
2015 Liu F, Espejo GL, Qiu S, Oliva MM, Pina J, Seixas de Melo JS, Casado J, Zhu X. Multifaceted Regioregular Oligo(thieno[3,4-b]thiophene)s Enabled by Tunable Quinoidization and Reduced Energy Band Gap. Journal of the American Chemical Society. PMID 26186503 DOI: 10.1021/jacs.5b05940  0.308
2015 Zeng Z, Lee S, Son M, Fukuda K, Burrezo PM, Zhu X, Qi Q, Li RW, Navarrete JT, Ding J, Casado J, Nakano M, Kim D, Wu J. Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties. Journal of the American Chemical Society. 137: 8572-83. PMID 26062868 DOI: 10.1021/Jacs.5B04156  0.382
2015 Zeng Z, Shi X, Chi C, López Navarrete JT, Casado J, Wu J. Pro-aromatic and anti-aromatic π-conjugated molecules: an irresistible wish to be diradicals. Chemical Society Reviews. 44: 6578-96. PMID 25994857 DOI: 10.1039/C5Cs00051C  0.772
2015 Nieto-Ortega B, García F, Longhi G, Castiglioni E, Calbo J, Abbate S, López Navarrete JT, Ramírez FJ, Ortí E, Sánchez L, Casado J. On the handedness of helical aggregates of C3 tricarboxamides: a multichiroptical characterization. Chemical Communications (Cambridge, England). 51: 9781-4. PMID 25960027 DOI: 10.1039/c5cc03054d  0.709
2015 Streifel BC, Zafra JL, Espejo GL, Gómez-García CJ, Casado J, Tovar JD. An Unusually Small Singlet-Triplet Gap in a Quinoidal 1,6-Methano[10]annulene Resulting from Baird's 4n π-Electron Triplet Stabilization. Angewandte Chemie (International Ed. in English). 54: 5888-93. PMID 25833411 DOI: 10.1002/Anie.201500879  0.347
2015 Burrezo PM, Zhu X, Zhu SF, Yan Q, López Navarrete JT, Tsuji H, Nakamura E, Casado J. Planarization, fusion, and strain of carbon-bridged phenylenevinylene oligomers enhance π-electron and charge conjugation: a dissectional vibrational Raman study. Journal of the American Chemical Society. 137: 3834-43. PMID 25730496 DOI: 10.1021/Ja5125463  0.788
2014 Tommasini M, Longhi G, Mazzeo G, Abbate S, Nieto-Ortega B, Ramírez FJ, Casado J, López Navarrete JT. Mode Robustness in Raman Optical Activity. Journal of Chemical Theory and Computation. 10: 5520-7. PMID 26583235 DOI: 10.1021/ct500697e  0.722
2014 Nieto-Ortega B, Hierrezuelo JM, Carnero Ruiz C, López Navarrete JT, Casado J, Ramírez FJ. Unfolding Pathway of a Globular Protein by Surfactants Monitored with Raman Optical Activity. The Journal of Physical Chemistry Letters. 5: 8-13. PMID 26276173 DOI: 10.1021/jz402291s  0.702
2014 Peña Alvarez M, Mayorga Burrezo P, Iwamoto T, Qiu L, Kertesz M, Taravillo M, Baonza VG, López Navarrete JT, Yamago S, Casado J. Chameleon-like behaviour of cyclo[n]paraphenylenes in complexes with C70: on their impressive electronic and structural adaptability as probed by Raman spectroscopy. Faraday Discussions. 173: 157-71. PMID 25468137 DOI: 10.1039/C4Fd00103F  0.727
2014 Mayorga Burrezo P, Pelado B, Ponce Ortiz R, De la Cruz P, López Navarrete JT, Langa F, Casado J. Robust ethylenedioxythiophene-vinylene oligomers from fragile thiophene-vinylene cores: synthesis and optical, chemical and electrochemical properties of multicharged shapes. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 1713-25. PMID 25410712 DOI: 10.1002/chem.201404838  0.834
2014 Sjöqvist J, González-Cano RC, López Navarrete JT, Casado J, Ruiz Delgado MC, Linares M, Norman P. A combined MD/QM and experimental exploration of conformational richness in branched oligothiophenes. Physical Chemistry Chemical Physics : Pccp. 16: 24841-52. PMID 25319050 DOI: 10.1039/C4Cp03365E  0.748
2014 Peña Alvarez M, Mayorga Burrezo P, Kertesz M, Iwamoto T, Yamago S, Xia J, Jasti R, López Navarrete JT, Taravillo M, Baonza VG, Casado J. Properties of sizeable [n]cycloparaphenylenes as molecular models of single-wall carbon nanotubes elucidated by Raman spectroscopy: structural and electron-transfer responses under mechanical stress. Angewandte Chemie (International Ed. in English). 53: 7033-7. PMID 24838669 DOI: 10.1002/Anie.201400719  0.752
2014 González SR, Nieto-Ortega B, González Cano RC, Lloveras V, Novoa JJ, Mota F, Vidal-Gancedo J, Rovira C, Veciana J, del Corro E, Taravillo M, Baonza VG, López Navarrete JT, Casado J. Diradicals acting through diamagnetic phenylene vinylene bridges: Raman spectroscopy as a probe to characterize spin delocalization. The Journal of Chemical Physics. 140: 164903. PMID 24784306 DOI: 10.1063/1.4871895  0.755
2014 Zafra JL, González Cano RC, Ruiz Delgado MC, Sun Z, Li Y, López Navarrete JT, Wu J, Casado J. Zethrene biradicals: how pro-aromaticity is expressed in the ground electronic state and in the lowest energy singlet, triplet, and ionic states. The Journal of Chemical Physics. 140: 054706. PMID 24511967 DOI: 10.1063/1.4863557  0.788
2014 Aparicio F, Nieto-Ortega B, Nájera F, Ramírez FJ, López Navarrete JT, Casado J, Sánchez L. Inversion of supramolecular helicity in oligo-p-phenylene-based supramolecular polymers: influence of molecular atropisomerism. Angewandte Chemie (International Ed. in English). 53: 1373-7. PMID 24352979 DOI: 10.1002/anie.201309172  0.729
2014 Ramírez FJ, Nieto-Ortega B, Casado J, López Navarrete JT. The first chiral Raman spectrum report of a protein: a perspective of 20 years. Chemical Communications (Cambridge, England). 49: 8893-5. PMID 23989668 DOI: 10.1039/c3cc44921a  0.713
2013 González-Cano RC, Saini G, Jacob J, López Navarrete JT, Casado J, Ruiz Delgado MC. Interplay of α,α- versus α,β-conjugation in the excited states and charged defects of branched oligothiophenes as models for dendrimeric materials. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 17165-71. PMID 24222428 DOI: 10.1002/Chem.201302244  0.732
2013 Janeliunas D, Eelkema R, Nieto-Ortega B, Ramírez Aguilar FJ, López Navarrete JT, van der Mee L, Stuart MC, Casado J, van Esch JH. Designing new symmetrical facial oligothiophene amphiphiles. Organic & Biomolecular Chemistry. 11: 8435-42. PMID 24196136 DOI: 10.1039/C3Ob41645C  0.724
2013 Marco AB, Andreu R, Franco S, Garín J, Orduna J, Villacampa B, Diosdado BE, López Navarrete JT, Casado J. Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties. Organic & Biomolecular Chemistry. 11: 6338-49. PMID 23945744 DOI: 10.1039/c3ob41278d  0.743
2013 Ponce Ortiz R, Herrera H, Mancheño MJ, Seoane C, Segura JL, Mayorga Burrezo P, Casado J, López Navarrete JT, Facchetti A, Marks TJ. Molecular and electronic-structure basis of the ambipolar behavior of naphthalimide-terthiophene derivatives: implementation in organic field-effect transistors. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 12458-67. PMID 23893857 DOI: 10.1002/Chem.201301489  0.76
2013 Zeng Z, Lee S, Zafra JL, Ishida M, Zhu X, Sun Z, Ni Y, Webster RD, Li RW, López Navarrete JT, Chi C, Ding J, Casado J, Kim D, Wu J. Tetracyanoquaterrylene and tetracyanohexarylenequinodimethanes with tunable ground states and strong near-infrared absorption. Angewandte Chemie (International Ed. in English). 52: 8561-5. PMID 23881786 DOI: 10.1002/Anie.201305348  0.732
2013 Casado J, Mayorga Burrezo P, Ramírez FJ, López Navarrete JT, Lapidus SH, Stephens PW, Vo HL, Miller JS, Mota F, Novoa JJ. Evidence for multicenter bonding in dianionic tetracyanoethylene dimers by Raman spectroscopy. Angewandte Chemie (International Ed. in English). 52: 6421-5. PMID 23592564 DOI: 10.1002/Anie.201207813  0.731
2013 Zeng Z, Ishida M, Zafra JL, Zhu X, Sung YM, Bao N, Webster RD, Lee BS, Li RW, Zeng W, Li Y, Chi C, López Navarrete JT, Ding J, Casado J, et al. Pushing extended p-quinodimethanes to the limit: stable tetracyano-oligo(N-annulated perylene)quinodimethanes with tunable ground states. Journal of the American Chemical Society. 135: 6363-71. PMID 23560651 DOI: 10.1021/Ja402467Y  0.772
2012 González Cano RC, Herrera H, Segura JL, López Navarrete JT, Ruiz Delgado MC, Casado J. Conformational control of the electronic properties of an α-β terthiophene: lessons from a precursor towards dendritic hyperbranched oligo- and poly-thiophenes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 3893-900. PMID 22933331 DOI: 10.1002/cphc.201200620  0.714
2012 Li Y, Heng WK, Lee BS, Aratani N, Zafra JL, Bao N, Lee R, Sung YM, Sun Z, Huang KW, Webster RD, López Navarrete JT, Kim D, Osuka A, Casado J, et al. Kinetically blocked stable heptazethrene and octazethrene: closed-shell or open-shell in the ground state? Journal of the American Chemical Society. 134: 14913-22. PMID 22908899 DOI: 10.1021/Ja304618V  0.768
2012 Zeng Z, Sung YM, Bao N, Tan D, Lee R, Zafra JL, Lee BS, Ishida M, Ding J, López Navarrete JT, Li Y, Zeng W, Kim D, Huang KW, Webster RD, ... Casado J, et al. Stable tetrabenzo-Chichibabin's hydrocarbons: tunable ground state and unusual transition between their closed-shell and open-shell resonance forms. Journal of the American Chemical Society. 134: 14513-25. PMID 22889277 DOI: 10.1021/Ja3050579  0.768
2012 Nieto-Ortega B, Ramírez FJ, Amabilino DB, Linares M, Beljonne D, López Navarrete JT, Casado J. Electronic and vibrational circular dichroism spectroscopies for the understanding of chiral organization in porphyrin aggregates. Chemical Communications (Cambridge, England). 48: 9147-9. PMID 22872159 DOI: 10.1039/C2Cc34374F  0.752
2012 Casado J, Ponce Ortiz R, López Navarrete JT. Quinoidal oligothiophenes: new properties behind an unconventional electronic structure. Chemical Society Reviews. 41: 5672-86. PMID 22806576 DOI: 10.1039/c2cs35079c  0.809
2012 Rodríguez González S, Ruiz Delgado MC, Caballero R, De la Cruz P, Langa F, López Navarrete JT, Casado J. Delocalization-to-localization charge transition in diferrocenyl-oligothienylene-vinylene molecular wires as a function of the size by Raman spectroscopy. Journal of the American Chemical Society. 134: 5675-81. PMID 22397549 DOI: 10.1021/ja3005607  0.756
2012 Rodríguez González S, Aragó J, Viruela PM, Ortí E, López Navarrete JT, Sato MA, Casado J. Diferrocenyl oligothiophene wires: Raman and quantum chemical study of valence-trapped cations. The Journal of Chemical Physics. 135: 234705. PMID 22191898 DOI: 10.1063/1.3669653  0.751
2012 Aragó J, Ponce Ortiz R, Nieto-Ortega B, Hernández V, Casado J, Facchetti A, Marks TJ, Viruela PM, Ortí E, López Navarrete JT. Carbonyl-functionalized quaterthiophenes: a study of the vibrational Raman and electronic absorption/emission properties guided by theoretical calculations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 168-76. PMID 22135109 DOI: 10.1002/Cphc.201100736  0.827
2011 Nieto-Ortega B, Casado J, López Navarrete JT, Hennrich G, Ramírez FJ. On the Origin of the Chiro-Optical Activity in Supramolecular Assemblies: A Quantum Chemical Study of C3 Octopolar Systems. Journal of Chemical Theory and Computation. 7: 3314-22. PMID 26598165 DOI: 10.1021/ct200505s  0.73
2011 Juárez R, Moreno Oliva M, Ramos M, Segura JL, Alemán C, Rodríguez-Ropero F, Curcó D, Montilla F, Coropceanu V, Brédas JL, Qi Y, Kahn A, Ruiz Delgado MC, Casado J, López Navarrete JT. Hexaazatriphenylene (HAT) versus tri-HAT: the bigger the better? Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 10312-22. PMID 21850722 DOI: 10.1002/Chem.201101198  0.798
2011 González SR, Orduna J, Alicante R, Villacampa B, McGee KA, Pina J, de Melo JS, Schwaderer KM, Johnson JC, Blackorbay BA, Hansmeier JJ, Bolton VF, Helland TJ, Edlund BA, Pappenfus TM, ... ... Casado J, et al. Understanding optoelectronic properties of cyano-terminated oligothiophenes in the context of intramolecular charge transfer. The Journal of Physical Chemistry. B. 115: 10573-85. PMID 21819111 DOI: 10.1021/Jp2070375  0.442
2011 Rivera-Fuentes P, Nieto-Ortega B, Schweizer WB, Navarrete JT, Casado J, Diederich F. Enantiopure, monodisperse alleno-acetylenic cyclooligomers: effect of symmetry and conformational flexibility on the chiroptical properties of carbon-rich compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 3876-85. PMID 21416492 DOI: 10.1002/Chem.201100131  0.344
2011 Nieto-Ortega B, Casado J, Blanch EW, López Navarrete JT, Quesada AR, Ramírez FJ. Raman optical activity spectra and conformational elucidation of chiral drugs. The case of the antiangiogenic aeroplysinin-1. The Journal of Physical Chemistry. A. 115: 2752-5. PMID 21401047 DOI: 10.1021/jp2009397  0.741
2011 Zafra JL, Casado J, Perepichka II, Perepichka IF, Bryce MR, Ramírez FJ, López Navarrete JT. π-conjugation and charge polarization in fluorene-dibenzothiophene-S,S-dioxide co-oligomers by Raman spectroscopy and quantum chemistry. The Journal of Chemical Physics. 134: 044520. PMID 21280761 DOI: 10.1063/1.3526487  0.779
2011 Collado D, Casado J, Rodríguez González S, López Navarrete JT, Suau R, Perez-Inestrosa E, Pappenfus TM, Raposo MM. Enhanced functionality for donor-acceptor oligothiophenes by means of inclusion of BODIPY: synthesis, electrochemistry, photophysics, and model chemistry. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 498-507. PMID 21207566 DOI: 10.1002/Chem.201001942  0.777
2010 Casado J, López Navarrete JT. The longest quinoidal oligothiophene: a Raman story. Chemical Record (New York, N.Y.). 11: 45-53. PMID 21308972 DOI: 10.1002/tcr.201000022  0.73
2010 Iavicoli P, Xu H, Feldborg LN, Linares M, Paradinas M, Stafström S, Ocal C, Nieto-Ortega B, Casado J, López Navarrete JT, Lazzaroni R, De Feyter S, Amabilino DB. Tuning the supramolecular chirality of one- and two-dimensional aggregates with the number of stereogenic centers in the component porphyrins. Journal of the American Chemical Society. 132: 9350-62. PMID 20560581 DOI: 10.1021/Ja101533J  0.748
2010 Oliva MM, Pappenfus TM, Melby JH, Schwaderer KM, Johnson JC, McGee KA, da Silva Filho DA, Bredas JL, Casado J, López Navarrete JT. Comparison of thiophene-pyrrole oligomers with oligothiophenes: a joint experimental and theoretical investigation of their structural and spectroscopic properties. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 6866-76. PMID 20437430 DOI: 10.1002/Chem.201000143  0.797
2010 Moreno Oliva M, Casado J, López Navarrete JT, Patchkovskii S, Goodson T, Harpham MR, Seixas de Melo JS, Amir E, Rozen S. Do [all]-S,S'-dioxide oligothiophenes show electronic and optical properties of oligoenes and/or of oligothiophenes? Journal of the American Chemical Society. 132: 6231-42. PMID 20392046 DOI: 10.1021/Ja101015Q  0.786
2010 Nieto B, Ramírez FJ, Hennrich G, Gómez-Lor B, Casado J, López Navarrete JT. Aggregation behavior of a conjugated C3-symmetric molecule: a description based on chiro-optical experimental and theoretical spectroscopies. The Journal of Physical Chemistry. B. 114: 5710-7. PMID 20380428 DOI: 10.1021/jp100628s  0.766
2010 Ponce Ortiz R, Casado J, Rodríguez González S, Hernández V, López Navarrete JT, Viruela PM, Ortí E, Takimiya K, Otsubo T. Quinoidal oligothiophenes: towards biradical ground-state species. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 470-84. PMID 19938009 DOI: 10.1002/chem.200902037  0.762
2009 Moreno Oliva M, Casado J, López Navarrete JT, Hennrich G, van Cleuvenbergen S, Asselberghs I, Clays K, Ruiz Delgado MC, Brédas JL, Seixas de Melo JS, De Cola L. Synthesis, spectroscopy, nonlinear optics, and theoretical investigations of thienylethynyl octopoles with a tunable core. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 8223-34. PMID 19609987 DOI: 10.1002/Chem.200900702  0.787
2009 Ponce Ortiz R, González SR, Casado J, López Navarrete JT, Officer DL, Wagner P, Earles JC, Gordon KC. Electronic studies on oligothienylenevinylenes: understanding the nature of their ground and excited electronic states. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 1901-10. PMID 19514036 DOI: 10.1002/cphc.200900140  0.824
2009 Ponce Ortiz R, Casado J, Hernández V, López Navarrete JT, Letizia JA, Ratner MA, Facchetti A, Marks TJ. Thiophene-diazine molecular semiconductors: synthesis, structural, electrochemical, optical, and electronic structural properties; implementation in organic field-effect transistors. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 5023-39. PMID 19253316 DOI: 10.1002/Chem.200802424  0.824
2009 Casado J, Rodríguez González S, Ruiz Delgado MC, Moreno Oliva M, López Navarrete JT, Caballero R, de la Cruz P, Langa F. Ferrocenyl-ended thieno-vinylene oligomers: donor-acceptor polarization and mixed-valence properties with emphasis on the raman mapping of localized-to-delocalized transitions. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 2548-59. PMID 19165843 DOI: 10.1002/chem.200801589  0.793
2009 Schmidt A, Snovydovych B, Casado J, Quirante JJ, Navarrete JT, Ramírez FJ. Quantum mechanical study and vibrational spectra of indazolium-3-carboxylate and its decarboxylation product, the N-heterocyclic carbene indazol-3-ylidene. Physical Chemistry Chemical Physics : Pccp. 11: 341-8. PMID 19088990 DOI: 10.1039/b812597j  0.307
2008 Casado J, Takimiya K, Otsubo T, Ramírez FJ, Quirante JJ, Ponce Ortiz R, González SR, Moreno Oliva M, López Navarrete JT. Raman spectroscopy shows interchain through space charge delocalization in a mixed valence oligothiophene cation and in its pi-dimeric biradicaloid dication. Journal of the American Chemical Society. 130: 14028-9. PMID 18837499 DOI: 10.1021/ja806207j  0.812
2008 Casado J, Patchkovskii S, Zgierski MZ, Hermosilla L, Sieiro C, Moreno Oliva M, López Navarrete JT. Raman detection of "ambiguous" conjugated biradicals: rapid thermal singlet-to-triplet intersystem crossing in an extended viologen. Angewandte Chemie (International Ed. in English). 47: 1443-6. PMID 18200638 DOI: 10.1002/anie.200704398  0.699
2007 Ruiz Delgado MC, Orduna J, Moreno Oliva M, Casado J, López Navarrete JT. Theoretical understanding of the increment of beta upon protonation of pyridine peripheral octupolar molecules: toward nonlinear optical sensors. The Journal of Chemical Physics. 127: 164704. PMID 17979368 DOI: 10.1063/1.2796167  0.7
2007 Ponce Ortiz R, Casado J, Hernández V, López Navarrete JT, Viruela PM, Ortí E, Takimiya K, Otsubo T. On the biradicaloid nature of long quinoidal oligothiophenes: experimental evidence guided by theoretical studies. Angewandte Chemie (International Ed. in English). 46: 9057-61. PMID 17960741 DOI: 10.1002/anie.200703244  0.757
2007 Oliva MM, Casado J, Navarrete JT, Berridge R, Skabara PJ, Kanibolotsky AL, Perepichka IF. Electronic and molecular structures of trigonal truxene-core systems conjugated to peripheral fluorene branches. Spectroscopic and theoretical study. The Journal of Physical Chemistry. B. 111: 4026-35. PMID 17402773 DOI: 10.1021/jp065271w  0.458
2007 Casado J, Moreno Oliva M, Ruiz Delgado MC, López Navarrete JT, Sánchez L, Martín N, Andreu R, Carrasquer L, Garín J, Orduna J. Vibrational fingerprint of the structural tuning in push-pull organic chromophores with quinoid or proaromatic spacers. The Journal of Chemical Physics. 126: 074701. PMID 17328621 DOI: 10.1063/1.2395936  0.765
2007 Oliva MM, Casado J, Hennrich G, López Navarrete JT. Octopolar chromophores based on donor- and acceptor-substituted 1,3,5-tris(phenylethynyl)benzenes: impact of meta-conjugation on the molecular and electronic structure by means of spectroscopy and theory. The Journal of Physical Chemistry. B. 110: 19198-206. PMID 17004769 DOI: 10.1021/jp0627269  0.799
2007 Casado J, Moreno Oliva M, Ruiz Delgado MC, Ponce Ortiz R, Joaquín Quirante J, López Navarrete JT, Takimiya K, Otsubo T. Hybrid organic semiconductors including chalcogen atoms in pi-conjugated skeletons. Tuning of optical, redox, and vibrational properties by heavy atom conjugation. The Journal of Physical Chemistry. A. 110: 7422-30. PMID 16759131 DOI: 10.1021/jp061154p  0.832
2006 Oliva MM, Casado J, Raposo MM, Fonseca AM, Hartmann H, Hernández V, López Navarrete JT. Structure-property relationships in push-pull amino/cyanovinyl end-capped oligothiophenes: quantum chemical and experimental studies. The Journal of Organic Chemistry. 71: 7509-20. PMID 16995653 DOI: 10.1021/jo060318v  0.714
2006 Casado J, Zgierski MZ, Fuhrmann G, Bäuerle P, López Navarrete JT. Structural implications of ring shape, dimension, and metal atom insertion in nanosized cyclic oligothiophenes: joint Raman and density functional theory study. The Journal of Chemical Physics. 125: 44518. PMID 16942167 DOI: 10.1063/1.2217746  0.721
2006 Casado J, Zgierski MZ, Ewbank PC, Burand MW, Janzen DE, Mann KR, Pappenfus TM, Berlin A, Pérez-Inestrosa E, Ortiz RP, López Navarrete JT. Exploration of ground and excited electronic states of aromatic and quinoid S,S-dioxide terthiophenes. Complementary systems for enhanced electronic organic materials. Journal of the American Chemical Society. 128: 10134-44. PMID 16881643 DOI: 10.1021/Ja061372W  0.787
2006 Casado J, Ruiz Delgado MC, Rey Merchán MC, Hernández V, López Navarrete JT, Pappenfus TM, Williams N, Stegner WJ, Johnson JC, Edlund BA, Janzen DE, Mann KR, Orduna J, Villacampa B. Optical, redox, and NLO properties of tricyanovinyl oligothiophenes: comparisons between symmetric and asymmetric substitution patterns. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 5458-70. PMID 16628759 DOI: 10.1002/Chem.200501389  0.792
2006 Casado J, Réau R, López Navarrete JT. Tuning of electronic properties in thienyl-phosphole pi-conjugated systems through P-functionalization monitored by Raman spectroscopy. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 3759-67. PMID 16521133 DOI: 10.1002/Chem.200501159  0.783
2005 Casado J, Ortiz RP, Ruiz Delgado MC, Hernandez V, López Navarrete JT, Raimundo JM, Blanchard P, Allain M, Roncali J. Alternated quinoid/aromatic units in terthiophenes building blocks for electroactive narrow band gap polymers. Extended spectroscopic, solid state, electrochemical, and theoretical study. The Journal of Physical Chemistry. B. 109: 16616-27. PMID 16853114 DOI: 10.1021/jp0520300  0.72
2005 Casado J, Ortiz RP, Ruiz Delgado MC, Azumi R, Oakley RT, Hernandez V, López Navarrete JT. Multidisciplinary physicochemical analysis of oligothiophenes end-capped by nitriles: electrochemistry, UV-vis-near-IR, IR, and Raman spectroscopies and quantum chemistry. The Journal of Physical Chemistry. B. 109: 10115-25. PMID 16852226 DOI: 10.1021/Jp0446175  0.765
2005 Casado J, Zgierski MZ, Hicks RG, Myles DJ, Viruela PM, Ortí E, Ruiz Delgado MC, Hernández V, López Navarrete JT. Mesitylthio-oligothiophenes in various redox states. Molecular and electronic views as offered by spectroscopy and theory. The Journal of Physical Chemistry. A. 109: 11275-84. PMID 16331912 DOI: 10.1021/jp052778i  0.771
2005 Casado J, Hernández V, Ruiz Delgado MC, Ortiz RP, López Navarrete JT, Facchetti A, Marks TJ. Incisive structure-spectroscopic correlation in oligothiophenes functionalized with (+/-) inductive/mesomeric fluorine groups: joint Raman and DFT study. Journal of the American Chemical Society. 127: 13364-72. PMID 16173770 DOI: 10.1021/Ja053296N  0.354
2005 Andreu R, Blesa MJ, Carrasquer L, Garín J, Orduna J, Villacampa B, Alcalá R, Casado J, Ruiz Delgado MC, López Navarrete JT, Allain M. Tuning first molecular hyperpolarizabilities through the use of proaromatic spacers. Journal of the American Chemical Society. 127: 8835-45. PMID 15954792 DOI: 10.1021/ja051819l  0.7
2004 Ortiz RP, Ruiz Delgado MC, Casado J, Hernández V, Kim OK, Woo HY, López Navarrete JT. Electronic modulation of dithienothiophene (DTT) as pi-center of D-pi-D chromophores on optical and redox properties: analysis by UV-Vis-NIR and Raman spectroscopies combined with electrochemistry and quantum chemical DFT calculations. Journal of the American Chemical Society. 126: 13363-76. PMID 15479093 DOI: 10.1021/ja047058o  0.755
2004 Delgado Ledesma S, Ponce Ortiz R, Ruiz Delgado MC, Vida Y, Pérez-Inestrosa E, Casado J, Hernández V, Kim OK, Lehn JM, López Navarrete JT. Vibrational and quantum-chemical study of nonlinear optical chromophores containing dithienothiophene as the electron relay. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 3805-16. PMID 15281165 DOI: 10.1002/Chem.200305752  0.84
2004 Delgado JL, de la Cruz P, Langa F, Urbina A, Casado J, López Navarrete JT. Microwave-assisted sidewall functionalization of single-wall carbon nanotubes by Diels-Alder cycloaddition. Chemical Communications (Cambridge, England). 1734-5. PMID 15278160 DOI: 10.1039/b402375g  0.674
2004 Casado J, Pappenfus TM, Mann KR, Hernández V, López Navarrete JT. Exploration of the electronic structure of dendrimerlike acetylene-bridged oligothiophenes by correlating Raman spectroscopy, electrochemistry, and theory. The Journal of Chemical Physics. 120: 11874-81. PMID 15268221 DOI: 10.1063/1.1755665  0.4
2004 Casado J, Pappenfus TM, Mann KR, Ortí E, Viruela PM, Milián B, Hernández V, López Navarrete JT. Spectroscopic and theoretical study of the molecular and electronic structures of a terthiophene-based quinodimethane. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 529-39. PMID 15139227 DOI: 10.1002/Cphc.200300963  0.437
2003 Ruiz Delgado MC, Hernández V, Casado J, López Navarrete JT, Raimundo JM, Blanchard P, Roncali J. Vibrational and quantum-chemical study of push-pull chromophores for second-order nonlinear optics from rigidified thiophene-based pi-conjugating spacers. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 3670-82. PMID 12898694 DOI: 10.1002/chem.200204542  0.729
2003 Casado J, Pappenfus TM, Miller LL, Mann KR, Ortí E, Viruela PM, Pou-Amérigo R, Hernández V, López Navarrete JT. Nitro-functionalized oligothiophenes as a novel type of electroactive molecular material: spectroscopic, electrochemical, and computational study. Journal of the American Chemical Society. 125: 2524-34. PMID 12603140 DOI: 10.1021/Ja027835P  0.784
2002 Casado J, Miller LL, Mann KR, Pappenfus TM, Higuchi H, Ortí E, Milián B, Pou-Amérigo R, Hernández V, López Navarrete JT. Quinonoid oligothiophenes as electron-donor and electron-acceptor materials. A spectroelectrochemical and theoretical study. Journal of the American Chemical Society. 124: 12380-8. PMID 12371882 DOI: 10.1021/Ja027161I  0.788
2002 Pappenfus TM, Raff JD, Hukkanen EJ, Burney JR, Casado J, Drew SM, Miller LL, Mann KR. Dinitro and quinodimethane derivatives of terthiophene that can be both oxidized and reduced. Crystal structures, spectra, and a method for analyzing quinoid contributions to structure. The Journal of Organic Chemistry. 67: 6015-24. PMID 12182637 DOI: 10.1021/Jo025572B  0.3
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