Ashwini K. Phukan - Publications

Affiliations: 
School of Chemistry University of Hyderabad, Hyderabad, Telangana, India 

40 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 Ahmed S, Das H, González-Pinardo D, Fernández I, Phukan AK. Mono(Lewis Base)-Stabilized Gallium Iodide: An Unexplored Class of Promising Ligands. Chemistry (Weinheim An Der Bergstrasse, Germany). e202303746. PMID 38109193 DOI: 10.1002/chem.202303746  0.414
2023 Chakraborty B, Basumatary FE, Braunschweig H, Phukan AK. Cooperative Activation of Small Molecules by Base-Stabilized Borylenes. Inorganic Chemistry. 62: 9063-9076. PMID 37265319 DOI: 10.1021/acs.inorgchem.3c00873  0.36
2022 Ghosh B, Phukan AK. Unravelling the Potential of Ylides in Stabilizing Low-Valent Group 13 Compounds: Theoretical Predictions of Stable, Five-Membered Group 13 (Aluminum and Gallium) Carbenoids Capable of Small-Molecule Activation. Inorganic Chemistry. PMID 36059112 DOI: 10.1021/acs.inorgchem.2c01630  0.37
2021 Härterich M, Ritschel B, Arrowsmith M, Böhnke J, Krummenacher I, Phukan AK, Braunschweig H. Hybrid Inorganic-Organic Cross-Metathesis between Diborenes and Acetylene. Journal of the American Chemical Society. 143: 18339-18345. PMID 34677063 DOI: 10.1021/jacs.1c10131  0.313
2021 Ghosh B, Fantuzzi F, Phukan AK. Understanding, Modulating, and Leveraging Transannular M → Z Interactions. Inorganic Chemistry. PMID 34424687 DOI: 10.1021/acs.inorgchem.1c00977  0.337
2020 Ghosh B, Bharadwaz P, Sarkar N, Phukan AK. Activation of small molecules by cyclic alkyl amino silylenes (CAASis) and germylenes (CAAGes): a theoretical study. Dalton Transactions (Cambridge, England : 2003). PMID 32996965 DOI: 10.1039/d0dt03043k  0.356
2020 Ghosh B, Phukan AK. Probing the potential of metalla-N-heterocyclic carbenes towards activation of enthalpically strong bonds. Dalton Transactions (Cambridge, England : 2003). PMID 32608419 DOI: 10.1039/d0dt01363c  0.329
2020 Pranckevicius C, Weber M, Krummenacher I, Phukan AK, Braunschweig H. Phosphinoborylenes as stable sources of fleeting borylenes Chemical Science. DOI: 10.1039/D0Sc04826G  0.338
2019 Rohman SS, Ghosh B, Phukan AK. In search of stable singlet metalla-N-heterocyclic carbenes (MNHCs): a contribution from theory. Dalton Transactions (Cambridge, England : 2003). PMID 31298233 DOI: 10.1039/c9dt02388g  0.371
2019 Bharadwaz P, Phukan AK. Introducing N-Heterocyclic Borylenes: Theoretical Prediction of Stable, Neutral, Monomeric Boron(I) Carbenoids. Inorganic Chemistry. PMID 30985119 DOI: 10.1021/acs.inorgchem.9b00731  0.38
2017 Bharadwaz P, Chetia P, Phukan AK. Electronic and Ligand Properties of Skeletally Substituted Cyclic (Alkyl)(Amino)Carbenes (CAACs) and Their Reactivity towards Small Molecule Activation: A Theoretical Study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28504835 DOI: 10.1002/chem.201701645  0.349
2017 Braunschweig H, Dellermann T, Dewhurst RD, Hupp B, Kramer T, Mattock JD, Mies J, Phukan AK, Steffen A, Vargas A. Strongly Phosphorescent Transition Metal π Complexes of Boron-Boron Triple Bonds. Journal of the American Chemical Society. PMID 28221795 DOI: 10.1021/Jacs.7B00766  0.312
2016 Borthakur B, Silvi B, Dewhurst RD, Phukan AK. Theoretical strategies toward stabilization of singlet remote N-heterocyclic carbenes. Journal of Computational Chemistry. PMID 27010516 DOI: 10.1002/jcc.24362  0.367
2015 Bharadwaz P, Borthakur B, Phukan AK. Annulated boron substituted N-heterocyclic carbenes: theoretical prediction of highly electrophilic carbenes. Dalton Transactions (Cambridge, England : 2003). 44: 18656-64. PMID 26455836 DOI: 10.1039/c5dt03501e  0.365
2015 Borthakur B, Phukan AK. Moving toward Ylide-Stabilized Carbenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 11603-9. PMID 26119685 DOI: 10.1002/chem.201500860  0.437
2015 Guha AK, Borthakur B, Phukan AK. Spectroscopic Distinction of Different Carbon Bases: An Insight from Theory. The Journal of Organic Chemistry. 80: 7301-4. PMID 26086604 DOI: 10.1021/acs.joc.5b01056  0.662
2014 Borthakur B, Rahman T, Phukan AK. Tuning the electronic and ligand properties of remote carbenes: a theoretical study. The Journal of Organic Chemistry. 79: 10801-10. PMID 25340967 DOI: 10.1021/jo5016807  0.4
2014 Bertermann R, Braunschweig H, Ewing WC, Kramer T, Phukan AK, Vargas A, Werner C. Synthesis and characterization of a mercury-containing trimetalloboride. Chemical Communications (Cambridge, England). 50: 5729-32. PMID 24740635 DOI: 10.1039/C4Cc01246A  0.325
2014 Guha AK, Phukan AK. Theoretical study on the effect of annelation and carbonylation on the electronic and ligand properties of N-heterocyclic silylenes and germylenes: carbene comparisons begin to break down. The Journal of Organic Chemistry. 79: 3830-7. PMID 24738711 DOI: 10.1021/Jo500117T  0.703
2014 Braunschweig H, Damme A, Dewhurst RD, Kramer T, Krummenacher I, Phukan AK. Short survey of the chemical reduction behavior of the base-stabilized iron dichloroboryl complexes [(η5-C5Me5)Fe(CO) 2BCl2(LB)] Organometallics. 33: 604-606. DOI: 10.1021/Om401176H  0.398
2013 Phukan AK, Guha AK, Sarmah S, Dewhurst RD. Electronic and ligand properties of annelated normal and abnormal (mesoionic) N-heterocyclic carbenes: a theoretical study. The Journal of Organic Chemistry. 78: 11032-9. PMID 24102531 DOI: 10.1021/jo402057g  0.692
2013 Sarmah S, Guha AK, Phukan AK, Kumar A, Gadre SR. Stabilization of Si(0) and Ge(0) compounds by different silylenes and germylenes: a density functional and molecular electrostatic study. Dalton Transactions (Cambridge, England : 2003). 42: 13200-9. PMID 23884376 DOI: 10.1039/C3Dt50926E  0.724
2013 Gogoi U, Guha AK, Phukan AK. Tracing the route to ammonia: a theoretical study on the possible pathways for dinitrogen reduction with tripodal iron complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 11077-89. PMID 23821310 DOI: 10.1002/chem.201300991  0.643
2013 Phukan AK, Guha AK, Sarmah S. Ligand properties of boron-substituted five-, six-, and seven-membered heterocyclic carbenes: A theoretical study Organometallics. 32: 3238-3248. DOI: 10.1021/Om400162A  0.528
2013 Sarmah S, Guha AK, Phukan AK. Donor-acceptor complexes of normal and abnormal N-heterocyclic carbenes with group 13 (B, Al, Ga) elements: A combined DFT and atoms-in-molecules study European Journal of Inorganic Chemistry. 3233-3239. DOI: 10.1002/ejic.201300329  0.345
2012 Phukan AK, Guha AK. Stabilization of cyclic and acyclic carbon(0) compounds by differential coordination of heterocyclic carbenes: a theoretical assessment. Dalton Transactions (Cambridge, England : 2003). 41: 8973-81. PMID 22717622 DOI: 10.1039/c2dt30855j  0.718
2012 Guha AK, Phukan AK. Do carbenes have a "hidden" carbon(0) character? Revisiting the electronic structure of 2,2'-bipyridyl carbene. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 4419-25. PMID 22362463 DOI: 10.1002/chem.201103250  0.691
2011 Guha AK, Phukan AK. Why vanadium complexes perform poorly in comparison to related molybdenum complexes in the catalytic reduction of dinitrogen to ammonia (Schrock cycle): a theoretical study. Inorganic Chemistry. 50: 8826-33. PMID 21838226 DOI: 10.1021/Ic200765S  0.678
2011 Phukan AK, Guha AK. Nature of intramolecular transannular interaction in group 13 atranes: a theoretical study. Inorganic Chemistry. 50: 1361-7. PMID 21247140 DOI: 10.1021/ic101997b  0.683
2011 Gogoi U, Guha AK, Phukan AK. Nature of intramolecular metal-metal interactions in supported group 4-group 9 and group 6-group 9 heterobimetallic complexes: A combined density functional theory and topological study Organometallics. 30: 5991-6002. DOI: 10.1021/Om200833A  0.364
2011 Guha AK, Das C, Phukan AK. Heterocyclic carbenes of diverse flexibility: A theoretical insight Journal of Organometallic Chemistry. 696: 586-593. DOI: 10.1016/j.jorganchem.2010.09.066  0.329
2010 Phukan AK, Guha AK. Nature of transannular intramolecular interactions in group 4 and 6 metallatranes: a combined density functional theory and atoms in molecules theory study. Inorganic Chemistry. 49: 9884-90. PMID 20882968 DOI: 10.1021/ic101542m  0.705
2010 Guha AK, Sarmah S, Phukan AK. Effect of substituents at the heteroatom on the structure and ligating properties of heterocyclic carbene, silylene, germylene and abnormal carbene: a theoretical study. Dalton Transactions (Cambridge, England : 2003). 39: 7374-83. PMID 20607170 DOI: 10.1039/c003266b  0.713
2010 Phukan AK, Guha AK, Silvi B. Is delocalization a prerequisite for stability of ring systems? A case study of some inorganic rings. Dalton Transactions (Cambridge, England : 2003). 39: 4126-37. PMID 20390175 DOI: 10.1039/B920161K  0.688
2005 Jemmis ED, Parameswaran P, Phukan AK. Binuclear organometallic compounds containing planar tetra co-ordinated carbon atoms: Theoretical study on geometrical and bonding patterns Molecular Physics. 103: 897-903. DOI: 10.1080/00268970412331333465  0.575
2004 Phukan AK, Kalagi RP, Gadre SR, Jemmis ED. Structure, reactivity and aromaticity of acenes and their BN analogues: a density functional and electrostatic investigation. Inorganic Chemistry. 43: 5824-32. PMID 15360231 DOI: 10.1021/Ic049690O  0.683
2003 Giju KT, Phukan AK, Jemmis ED. Stabilization of tricoordinate pyramidal boron: theoretical studies on CBSiH5, BSi2H5, CBGeH5, and CBSnH5. Angewandte Chemie (International Ed. in English). 42: 539-42. PMID 12569484 DOI: 10.1002/Anie.200390155  0.64
2003 Jemmis ED, Phukan AK, Jiao H, Rosenthal U. Structure and Neutral Homoaromaticity of Metallacyclopentene, -pentadiene, -pentyne, and -pentatriene: A Density Functional Study Organometallics. 22: 4958-4965. DOI: 10.1021/Om034161Y  0.625
2001 Kiran B, Phukan AK, Jemmis ED. Is borazine aromatic? Unusual parallel behavior between hydrocarbons and corresponding B-N analogues. Inorganic Chemistry. 40: 3615-8. PMID 11421714 DOI: 10.1021/Ic001394Y  0.581
2001 Jemmis ED, Phukan AK, Rosenthal U. Structure and bonding of metallacyclocumulenes, radialenes, butadiyne complexes and their possible interconversion: A theoretical study Journal of Organometallic Chemistry. 635: 204-211. DOI: 10.1016/S0022-328X(01)01112-3  0.59
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