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Debasis Koley - Publications

Affiliations: 
2011- IISER Kolkata 
Area:
Computational Chemistry and Molecular Modelling
Website:
https://www.iiserkol.ac.in/~koley/
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68 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 Pooventhiran T, Khilari N, Koley D. Mechanistic Avenues in Chan-Lam based Etherification Reaction: A Computational Exploration. Chemistry (Weinheim An Der Bergstrasse, Germany). e202302983. PMID 37794822 DOI: 10.1002/chem.202302983  0.305
2022 Kumar R, Dutta S, Sharma V, Singh PP, Gonnade R, Koley D, Sen SS. Monomeric Magnesium Catalyzed Alkene and Alkyne Hydroboration. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35862652 DOI: 10.1002/chem.202201896  0.635
2022 Yan B, Dutta S, Ma X, Ni C, Koley D, Yang Z, Roesky HW. Organoaluminum hydrides catalyzed hydroboration of carbonates, esters, carboxylic acids, and carbon dioxide. Dalton Transactions (Cambridge, England : 2003). PMID 35420111 DOI: 10.1039/d2dt00785a  0.345
2021 Zhu K, Dutta S, Han W, Wang C, Lee J, Tan G, Koley D, So CW, Li Y. Si(II) Cation-Promoted Formation of an Abnormal NHC-Bound Silylene and a cAAC-Silanyl Radical Ion. Inorganic Chemistry. PMID 33950667 DOI: 10.1021/acs.inorgchem.1c00188  0.327
2020 Banerjee S, Dutta S, Sarkar SK, Graw N, Herbst-Irmer R, Koley D, Stalke D, Roesky HW. Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study. Dalton Transactions (Cambridge, England : 2003). PMID 33026029 DOI: 10.1039/d0dt03161e  0.683
2020 Siddiqui MM, Banerjee S, Bose S, Sarkar SK, Gupta SK, Kretsch J, Graw N, Herbst-Irmer R, Stalke D, Dutta S, Koley D, Roesky HW. Cyclic (Alkyl)(Amino)Carbene-Stabilized Aluminum and Gallium Radicals Based on Amidinate Scaffolds. Inorganic Chemistry. 59: 11253-11258. PMID 32799492 DOI: 10.1021/Acs.Inorgchem.0C01913  0.681
2020 De S, Sivendran N, Maity B, Pirkl N, Koley D, Gooßen LJ. Dinuclear PdI Catalysts in Equilibrium Isomerizations: Mechanistic Understanding, in Silico Casting, and Catalyst Development Acs Catalysis. 10: 4517-4533. DOI: 10.1021/acscatal.9b05345  0.62
2019 Kundu G, De S, Tothadi S, Das A, Koley D, Sen SS. Saturated N-Heterocyclic Carbene based Thiele's Hydrocarbon with a Tetrafluorophenylene Linker. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31609519 DOI: 10.1002/Chem.201904421  0.649
2019 Li J, Zhong M, Keil H, Zhu H, Herbst-Irmer R, Stalke D, De S, Koley D, Roesky HW. (PhC(NtBu)Al)(SiH) six-membered heterocycle: comparable in structure to cyclohexane. Chemical Communications (Cambridge, England). PMID 30724916 DOI: 10.1039/c8cc10124h  0.406
2019 Li W, Kundu S, Köhler C, Li J, Dutta S, Yang Z, Stalke D, Herbst-Irmer R, Stückl AC, Schwederski B, Koley D, Kaim W, Roesky HW. Cyclic Alkyl(amino) Carbene-Stabilized Monoradicals of Organosilicon(IV) Compounds with Small Substituents Organometallics. 38: 1939-1945. DOI: 10.1021/Acs.Organomet.9B00041  0.618
2018 Mondal T, Dutta S, De S, Thirumalai D, Koley D. Donor Stabilized Diatomic Gr.14 E (E = C-Pb) Molecule D-E-D (D= NHC, NHC, NHC, NHSi, NHGe, cAAC, cAASi, cAAGe): A Theoretical Insight. The Journal of Physical Chemistry. A. PMID 30562460 DOI: 10.1021/acs.jpca.8b11005  0.749
2018 Mondal T, Dutta S, De S, Koley D. Computational Exploration of Mechanistic Avenues in C-H Activation Assisted Pd-Catalyzed Carbonylative Coupling. The Journal of Organic Chemistry. PMID 30525639 DOI: 10.1021/acs.joc.8b02630  0.767
2018 Bakthavachalam K, Dutta S, C A, Raghavendra B, Haridas A, Sen SS, Koley D, Ghosh S. Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group. Dalton Transactions (Cambridge, England : 2003). PMID 30358780 DOI: 10.1039/C8Dt03166E  0.671
2018 Roesky HW, Siddiqui M, Sinhababu S, Kundu S, Herbst-Irmer R, Stalke D, Koley D, Dutta S, Ruth PN, Münch A. Silanylidene and Germanylidene Anions: Valence Isoelectronic Species to the Well-studied Phosphinidene. Angewandte Chemie (International Ed. in English). PMID 29975006 DOI: 10.1002/Anie.201805936  0.602
2018 Dutta S, Maity B, Thirumalai D, Koley D. Computational Investigation of Carbene-Phosphinidenes: Correlation betweenP Chemical Shifts and Bonding Features to Estimate the π-Backdonation of Carbenes. Inorganic Chemistry. PMID 29528628 DOI: 10.1021/acs.inorgchem.8b00174  0.706
2018 Koley D, Mondal T, De S, Dutta S. Mechanistic Exploration of the Transmetalation and Reductive Elimination Events from Pd(IV)-abnormal NHC Complexes in Suzuki-Miyaura Coupling: A DFT Study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29411924 DOI: 10.1002/chem.201800024  0.763
2017 Kundu S, Sinhababu S, Luebben AV, Mondal T, Koley D, Dittrich B, Roesky HW. Reagent for Introducing Base-Stabilized Phosphorus Atoms into Organic and Inorganic Compounds. Journal of the American Chemical Society. PMID 29266940 DOI: 10.1021/Jacs.7B11977  0.8
2017 Kundu S, Sinhababu S, Dutta S, Mondal T, Koley D, Dittrich B, Schwederski B, Kaim W, Stückl AC, Roesky HW. Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals. Chemical Communications (Cambridge, England). PMID 28875182 DOI: 10.1039/C7Cc06358J  0.788
2017 Mondal T, De S, Koley D. DFT Study on C-F Bond Activation by Group 14 Dialkylamino Metalylenes: A Competition between Oxidative Additions versus Substitution Reactions. Inorganic Chemistry. PMID 28820247 DOI: 10.1021/acs.inorgchem.7b01615  0.764
2017 Roesky HW, Roy S, Mondal KC, Li B, Kundu S, Schürmann CJ, Dutta S, Koley D, Stalke D, Herbst-Irmer R. Two Structurally Characterized Conformational Isomers with Different C-P Bonds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28650088 DOI: 10.1002/Chem.201702870  0.733
2017 Li Y, Siwatch RK, Mondal T, Li Y, Ganguly R, Koley D, So CW. Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies. Inorganic Chemistry. PMID 28322546 DOI: 10.1021/Acs.Inorgchem.7B00128  0.781
2017 Barman SK, Mondal T, Koley D, Lloret F, Mukherjee R. A phenoxo-bridged dicopper(ii) complex as a model for phosphatase activity: mechanistic insights from a combined experimental and computational study. Dalton Transactions (Cambridge, England : 2003). PMID 28271106 DOI: 10.1039/C6Dt03514K  0.749
2017 Maity B, Koley D. Solvent-Promoted Regio- and Stereoselectivity in Ru-Catalyzed Hydrocarboxylation of Terminal Alkynes: A DFT Study Chemcatchem. 10: 566-580. DOI: 10.1002/cctc.201701345  0.679
2016 Maity B, Koley D. Computational Investigation on the Role of Disilene Substituents Toward N2O Activation. The Journal of Physical Chemistry. A. PMID 27997197 DOI: 10.1021/acs.jpca.6b11988  0.694
2016 Kundu S, Mohapatra C, Samuel PP, Kretsch J, Walawalkar MG, Herbst-Irmer R, Stalke D, De S, Koley D, Roesky HW. An unprecedented 1,4-diphospha-2,3-disila butadiene (-P[double bond, length as m-dash]Si-Si[double bond, length as m-dash]P-) derivative and a 1,3-diphospha-2-silaallyl anion, each stabilized by the amidinate ligand. Chemical Communications (Cambridge, England). PMID 27917418 DOI: 10.1039/C6Cc09171G  0.592
2016 Mondal T, De S, Maity B, Koley D. Exploring the Oxidative-Addition Pathways of Phenyl Chloride in the Presence of Pd(II) Abnormal N-Heterocyclic Carbene Complexes: A DFT Study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27642746 DOI: 10.1002/chem.201602735  0.765
2016 Li J, Li B, Liu R, Jiang L, Zhu H, Roesky HW, Dutta S, Koley D, Liu W, Ye Q. A Germylene/Borane Lewis Pair and the Remarkable C=O Bond Cleavage Reaction toward Isocyanate and Ketone Molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27538519 DOI: 10.1002/Chem.201603544  0.424
2016 Roesky HW, Roy S, Schürmann C, Mondal T, Koley D, Herbst-Irmer R, Stalke D. Activation of Elemental Sulfur at Two Coordinate Platinum(0) Center. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27414489 DOI: 10.1002/Chem.201603030  0.796
2016 Yang Z, Yi Y, Zhong M, De S, Mondal T, Koley D, Ma X, Zhang D, Roesky HW. Addition Reactions of Me3 SiCN with Aldehydes Catalyzed by Aluminum Complexes Containing in their Coordination Sphere O, S, and N Ligands. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27062461 DOI: 10.1002/chem.201505162  0.77
2016 Mohapatra C, Samuel PP, Li B, Niepötter B, Schürmann CJ, Herbst-Irmer R, Stalke D, Maity B, Koley D, Roesky HW. Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes. Inorganic Chemistry. PMID 26859316 DOI: 10.1021/Acs.Inorgchem.6B00024  0.729
2016 Roy S, Schürmann CJ, Mondal T, Koley D, Herbst-Irmer R, Stalke D, Roesky HW. Back Cover: Activation of Elemental Sulfur at a Two-Coordinate Platinum(0) Center (Chem. Eur. J. 36/2016) Chemistry - a European Journal. 22: 12944. DOI: 10.1002/Chem.201603552  0.305
2015 Maity B, Gooßen LJ, Koley D. Computational study of the mechanism and selectivity of ruthenium-catalyzed hydroamidations of terminal alkynes. Chemical Science. 6: 2532-2552. PMID 28808524 DOI: 10.1039/c4sc03906h  0.702
2015 Chandra Mondal K, Roy S, Dittrich B, Maity B, Dutta S, Koley D, Vasa SK, Linser R, Dechert S, Roesky HW. A soluble molecular variant of the semiconducting silicondiselenide. Chemical Science. 6: 5230-5234. PMID 28717501 DOI: 10.1039/C5Sc01516B  0.786
2015 Mondal KC, Roy S, Maity B, Koley D, Roesky HW. Estimation of σ-Donation and π-Backdonation of Cyclic Alkyl(amino) Carbene-Containing Compounds. Inorganic Chemistry. PMID 26675319 DOI: 10.1021/Acs.Inorgchem.5B02055  0.773
2015 Roy S, Mondal KC, Mondal T, Koley D, Dittrich B, Roesky HW. Monomeric siliconthiodichloride trapped by a Lewis base. Dalton Transactions (Cambridge, England : 2003). PMID 26515288 DOI: 10.1039/C5Dt03742E  0.8
2015 Haldar S, Roy SK, Maity B, Koley D, Jana CK. Regio- and Diastereoselective and Enantiospecific Metal-Free C(sp(3) )H Arylation: Facile Access to Optically Active 5-Aryl 2,5-Disubstituted Pyrrolidines. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 15290-8. PMID 26471443 DOI: 10.1002/chem.201502297  0.712
2015 Mohapatra C, Mondal KC, Samuel PP, Keil H, Niepötter B, Herbst-Irmer R, Stalke D, Dutta S, Koley D, Roesky HW. Frontispiece: A Stable Dimer of SiS2 Arranged between Two Carbene Molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). 21. PMID 26303442 DOI: 10.1002/Chem.201583661  0.323
2015 Mohapatra C, Mondal KC, Samuel PP, Keil H, Niepötter B, Herbst-Irmer R, Stalke D, Dutta S, Koley D, Roesky HW. A Stable Dimer of SiS2 Arranged between Two Carbene Molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26179976 DOI: 10.1002/Chem.201502092  0.449
2015 Roy S, Dittrich B, Mondal T, Koley D, Stückl AC, Schwederski B, Kaim W, John M, Vasa SK, Linser R, Roesky HW. Carbene supported dimer of heavier ketenimine analogue with p and si atoms. Journal of the American Chemical Society. 137: 6180-3. PMID 25919008 DOI: 10.1021/Jacs.5B03407  0.806
2015 Roy S, Stückl AC, Demeshko S, Dittrich B, Meyer J, Maity B, Koley D, Schwederski B, Kaim W, Roesky HW. Stable radicals from commonly used precursors trichlorosilane and diphenylchlorophosphine. Journal of the American Chemical Society. 137: 4670-3. PMID 25815606 DOI: 10.1021/Jacs.5B02403  0.792
2015 Chandra Mondal K, Roy S, Dittrich B, Maity B, Dutta S, Koley D, Vasa SK, Linser R, Dechert S, Roesky HW. A soluble molecular variant of the semiconducting silicondiselenide Chemical Science. 6: 5230-5234. DOI: 10.1039/c5sc01516b  0.641
2015 Maity B, Mondal T, Dey K, Biswas S, Koley D. Role of ligands in controlling the regioselectivity in ruthenium-catalysed addition of carboxylic acids to terminal alkynes: A DFT study Journal of Chemical Sciences. 127: 281-293. DOI: 10.1007/s12039-015-0775-4  0.683
2014 Roy S, Mondal KC, Krause L, Stollberg P, Herbst-Irmer R, Stalke D, Meyer J, Stückl AC, Maity B, Koley D, Vasa SK, Xiang SQ, Linser R, Roesky HW. Electron-induced conversion of silylones to six-membered cyclic silylenes. Journal of the American Chemical Society. 136: 16776-9. PMID 25383936 DOI: 10.1021/Ja510427R  0.79
2014 Mondal KC, Dittrich B, Maity B, Koley D, Roesky HW. Cyclic alkyl(amino) carbene stabilized biradical of disilicontetrachloride. Journal of the American Chemical Society. 136: 9568-71. PMID 24945609 DOI: 10.1021/Ja505817U  0.731
2014 Maity B, Koley D. Mechanistic investigation of the reactivity of disilene with nitrous oxide: A DFT study. Journal of Molecular Graphics & Modelling. 51: 50-63. PMID 24858255 DOI: 10.1016/j.jmgm.2014.04.011  0.687
2014 Mondal KC, Samuel PP, Roesky HW, Niepötter B, Herbst-Irmer R, Stalke D, Ehret F, Kaim W, Maity B, Koley D. Synthesis and characterization of a triphenyl-substituted radical and an unprecedented formation of a carbene-functionalized quinodimethane. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 9240-5. PMID 24664879 DOI: 10.1002/Chem.201400393  0.726
2014 Li Y, Mondal KC, Samuel PP, Zhu H, Orben CM, Panneerselvam S, Dittrich B, Schwederski B, Kaim W, Mondal T, Koley D, Roesky HW. C4 cumulene and the corresponding air-stable radical cation and dication. Angewandte Chemie (International Ed. in English). 53: 4168-72. PMID 24623450 DOI: 10.1002/Anie.201310975  0.767
2014 Nikiforov GB, Roesky HW, Koley D. A survey of titanium fluoride complexes, their preparation, reactivity, and applications Coordination Chemistry Reviews. 258: 16-57. DOI: 10.1016/J.Ccr.2013.09.002  0.359
2013 Mondal KC, Roesky HW, Stückl AC, Ehret F, Kaim W, Dittrich B, Maity B, Koley D. Formation of trichlorosilyl-substituted carbon-centered stable radicals through the use of π-accepting carbenes. Angewandte Chemie (International Ed. in English). 52: 11804-7. PMID 24038666 DOI: 10.1002/Anie.201300668  0.724
2013 Sen TK, Sau SC, Mukherjee A, Hota PK, Mandal SK, Maity B, Koley D. Abnormal N-heterocyclic carbene main group organometallic chemistry: a debut to the homogeneous catalysis. Dalton Transactions (Cambridge, England : 2003). 42: 14253-60. PMID 23945705 DOI: 10.1039/C3Dt51802G  0.769
2013 Das A, Maity B, Koley D, Ghosh S. Slothful gelation of a dipolar building block by "top-down" morphology transition from microparticles to nanofibres. Chemical Communications (Cambridge, England). 49: 5757-9. PMID 23689349 DOI: 10.1039/C3Cc42808G  0.731
2013 Sen TK, Mukherjee A, Modak A, Mandal SK, Koley D. Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters. Dalton Transactions (Cambridge, England : 2003). 42: 1893-904. PMID 23172379 DOI: 10.1039/C2Dt32152A  0.599
2013 Mukherjee A, Sen TK, Mandal SK, Maity B, Koley D. Construction of oxygen-bridged multimetallic assembly: dual catalysts for hydroamination reactions Rsc Adv.. 3: 1255-1264. DOI: 10.1039/C2Ra21778C  0.759
2012 Das A, Molla MR, Maity B, Koley D, Ghosh S. Hydrogen-bonding induced alternate stacking of donor (D) and acceptor (A) chromophores and their supramolecular switching to segregated states. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 9849-59. PMID 22782621 DOI: 10.1002/Chem.201201140  0.74
2012 Sau SC, Santra S, Sen TK, Mandal SK, Koley D. Abnormal N-heterocyclic carbene palladium complex: living catalyst for activation of aryl chlorides in Suzuki-Miyaura cross coupling. Chemical Communications (Cambridge, England). 48: 555-7. PMID 22068559 DOI: 10.1039/C1Cc15732A  0.557
2012 Das A, Molla MR, Maity B, Koley D, Ghosh S. Inside Cover: Hydrogen-Bonding Induced Alternate Stacking of Donor (D) and Acceptor (A) Chromophores and their Supramolecular Switching to Segregated States (Chem. Eur. J. 32/2012) Chemistry - a European Journal. 18: 9738-9738. DOI: 10.1002/Chem.201290137  0.739
2011 Sen TK, Sau SCh, Mukherjee A, Modak A, Mandal SK, Koley D. Introduction of abnormal N-heterocyclic carbene as an efficient organocatalyst: ring opening polymerization of cyclic esters. Chemical Communications (Cambridge, England). 47: 11972-4. PMID 21964160 DOI: 10.1039/C1Cc15032D  0.59
2011 Khan S, Michel R, Koley D, Roesky HW, Stalke D. Reactivity studies of a disilene with N2O and elemental sulfur. Inorganic Chemistry. 50: 10878-83. PMID 21954933 DOI: 10.1021/Ic201419M  0.614
2011 Azhakar R, Sarish SP, Tavcar G, Roesky HW, Hey J, Stalke D, Koley D. Formation of silicon centered spirocyclic compounds: reaction of N-heterocyclic stable silylene with benzoylpyridine, diisopropyl azodicarboxylate, and 1,2-diphenylhydrazine. Inorganic Chemistry. 50: 3028-36. PMID 21391579 DOI: 10.1021/Ic102566C  0.486
2011 Jana A, Azhakar R, Sarish SP, Samuel PP, Roesky HW, Schulzke C, Koley D. Reactions of Stable Amidinate Chlorosilylene and [1+4]‐Oxidative Addition of N‐Heterocyclic Silylene with N‐Benzylideneaniline European Journal of Inorganic Chemistry. 2011: 5006-5013. DOI: 10.1002/Ejic.201100661  0.689
2008 Nagendran S, Sen SS, Roesky HW, Koley D, Grubmüller H, Pal A, Herbst-Irmer R. RGe(I)Ge(I)R Compound (R = PhC(NtBu)2) with a Ge−Ge Single Bond and a Comparison with the Gauche Conformation of Hydrazine† Organometallics. 27: 5459-5463. DOI: 10.1021/Om800714F  0.78
2007 Jose DA, Kar P, Koley D, Ganguly B, Thiel W, Ghosh HN, Das A. Phenol- and catechol-based ruthenium(II) polypyridyl complexes as colorimetric sensors for fluoride ions. Inorganic Chemistry. 46: 5576-84. PMID 17569524 DOI: 10.1021/Ic070165+  0.387
2007 Ganguly B, Koley D, Thiel W. Intra-annular cyclophane diamines as proton sponges: a computational study Tetrahedron. 63: 7970-7976. DOI: 10.1016/J.Tet.2007.05.067  0.447
2006 Goossen LJ, Koley D, Hermann HL, Thiel W. The palladium-catalyzed cross-coupling reaction of carboxylic anhydrides with arylboronic acids: a DFT study. Journal of the American Chemical Society. 127: 11102-14. PMID 16076218 DOI: 10.1021/Ja052435Y  0.488
2006 Goossen LJ, Koley D, Hermann HL, Thiel W. Palladium Monophosphine Intermediates in Catalytic Cross-Coupling Reactions:  A DFT Study Organometallics. 25: 54-67. DOI: 10.1021/Om050685H  0.479
2005 Goossen LJ, Koley D, Hermann HL, Thiel W. Mechanistic Pathways for Oxidative Addition of Aryl Halides to Palladium(0) Complexes:  A DFT Study Organometallics. 24: 2398-2410. DOI: 10.1021/Om0500220  0.451
2005 Jensen VR, Koley D, Jagadeesh MN, Thiel W. DFT Investigation of the Single-Center, Two-State Model for the Broken Rate Order of Transition Metal Catalyzed Olefin Polymerization Macromolecules. 38: 10266-10278. DOI: 10.1021/Ma051224A  0.435
2004 Goossen LJ, Koley D, Hermann H, Thiel W. The mechanism of the oxidative addition of aryl halides to Pd-catalysts: a DFT investigation. Chemical Communications (Cambridge, England). 2141-3. PMID 15467842 DOI: 10.1039/B409144B  0.412
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