More Publication of Ashwini K. Phukan
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- More Publication of Ashwini K. Phukan
More Publication of Ashwini K. Phukan
M. Jain, A.K. Phukan, Six-Membered Cyclic (Alkyl)(amino)silylenes for Dehydrogenation of Ammonia Borane, Hydrogenation of CO2, and Unsaturated Bonds, Inorg. Chem., 65(2), 1666–1676, 2026, 65(2), 1666–1676, Click Here (DOI)
A. Tamuli, A.K. Phukan, Mono(Silylene)-Stabilized Borylenes for Small Molecule Activation, Chem. Eur. J., , 2026, , Click Here (DOI)
B. Chakraborty, R. R. Hazarika, H. Braunschweig and A. K. Phukan, Binding of Base-Stabilized Borylenes with Transition Metals and Formation of Metal Only Lewis Pairs, Dalton Trans, 54(2), 842-850, 2025, ,, Click Here (DOI)
A. K. Phukan, B. R. Bora and B. Chakraborty, Theoretical Prediction of Metallomimetic Stable Cyclic Group 13 Carbenoids, Dalton Trans, 54(7), 2742-2746, 2025, ,, Click Here (DOI)
S. Ahmed, D. Sarkar and A. K. Phukan, Tuning the Ligand Properties of PNacPNac Stabilized Group 13 Carbenoids Towards Small Molecule Activation: A Theoretical Study, Eur. J. Inorg. Chem., 28(10), e202400798, 2025, ,, Click Here (DOI)
M. Adhikari, S. K. Thakur, A. Tamuli, M. Kumari, A. K. Phukan and S. Singh, Low-Valent Group 14 Species Supported by BICAAC: Isolation of a Germylone and a Digermanium Compound, Chem. Eur. J., 31(38), e202501066, 2025, ,, Click Here (DOI)
S. Ahmed, H. Das, D. González-Pinardo, I. Fernández, A. K. Phukan, Mono(Lewis Base)-Stabilized Gallium Iodide: An Unexplored Class of Promising Ligands., Chem. Eur. J., e202303746, 2024, ,, Click Here (DOI)
B. Chakraborty, D. González-Pinardo, I. Fernández, A. K. Phukan, Carbene-Decorated Geometrically Constrained Borylenes for Bond Activations. (Invited Article), Inorg. Chem., 63(32), 14969–14980, 2024, ,, Click Here (DOI)
B. Ghosh, S. Ahmed and A. K. Phukan, Unravelling the Potential of Low-Valent Tunable Vanadium Complexes in Nitrogen Reduction Reaction (NRR), Dalton Trans, 53(48), 19175-19195, 2024, 53(48), 19175-19195, Click Here (DOI)
B. Chakraborty, F. E. Basumatary, H. Braunschweig, A. K. Phukan., Cooperative Activation of Small Molecules by Base-Stabilized Borylenes., Inorg. Chem., 62(23), 9063–9076, 2023, , Click Here (DOI)
S. Ahmed, I. Fernández, A. K. Phukan., Skeletally substituted aluminium and gallium carbenoids: a computational exploration., Dalton Trans., 52, 8567-8579, 2023, , Click Here (DOI)
B. Ghosh, J. J. Cabrera-Trujillo, I. Fernandez, A. K. Phukan, Stable N-heterocyclic borylenes with promising ligand properties: a contribution from theory., Inorg. Chem. Front., 9(21), 5673-5687., 2022, , Click Here (DOI)
B. Ghosh, and A. K. Phukan., 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., Inorg. Chem., 61(37), 14606-14615., 2022, ,, Click Here (DOI)
F. Fantuzzi, R. Moral, R. D. Dewhurst, H. Braunschweig and A. K. Phukan., Probing the Potential of Hitherto Unexplored Base‐Stabilized Borylenes in Dinitrogen Binding., Chem. Eur. J., 28(21), e202104123, 2022, , Click Here (DOI)
B. Ghosh, F. Fantuzzi, and A. K. Phukan, Understanding, Modulating, and Leveraging Transannular M→ Z Interactions. , Inorg. Chem, 60, 12790–12800, 2021, , Click Here (DOI)
M. Härterich, B. Ritschel, M. Arrowsmith, J. Böhnke, I. Krummenacher, A. K. Phukan and H. Braunschweig., Hybrid Inorganic–Organic Cross-Metathesis between Diborenes and Acetylene., J. Am. Chem. Soc., 143(43), 18339-18345., 2021, , Click Here (DOI)
B. Borthakur, B. Ghosh, and A. K. Phukan, The Flourishing Chemistry of Carbene Stabilized Compounds of Group 13 and 14 Elements., Polyhedron, 197, 115049., 2021, , Click Here (DOI)
B. Ghosh, P. Bharadwaz, N. Sarkar and A. K. Phukan., Activation of Small Molecules by Cyclic Alkyl Amino Silylenes (CAASis) and Germylenes (CAAGes): A Theoretical Study., Dalton Trans., 49(39), 13760-13772., 2020, , Click Here (DOI)
B. Ghosh and A. K. Phukan., Probing the Potential of Metalla-N-Heterocyclic Carbenes Towards Activation of Enthalpically Strong Bonds., Dalton Trans., 49(27), 9505-9515., 2020, , Click Here (DOI)
B. Joseph, S. Gomosta, R. Prakash, T. Roisnel, A. K. Phukan, and S. Ghosh., Chalcogen Stabilized bis-Hydridoborate Complexes of Cobalt: Analogues of Tetracyclo[4.3.0.02,4.03,5]nonane., Chem. Eur. J., 26(70), 16824-16832., 2020, , Click Here (DOI)
C. Pranckevicius, M. Weber, I. Krummenacher, A. K. Phukan and H. Braunschweig., Phosphinoborylenes as Stable Sources of Fleeting Borylenes., Chem. Sci., 11(40), 11055-11059., 2020, , Click Here (DOI)
C. Lenczyk, D. K. Roy, B. Ghosh, J. Schwarzmann, A. K. Phukan and H. Braunschweig., First Bis(σ)-borane Complexes of Group 6 Transition Metals: Experimental and Theoretical Studies., Chem. Eur. J., 25(36), 8585-8589., 2019, , Click Here (DOI)
B. Borthakur and A. K. Phukan, A Computational Study of Carbene Ligand Stabilization of Biomimetic Models of the Rotated Hred State of [FeFe]-Hydrogenase., Eur. J. Inorg. Chem., 2019(17), 2295-2303., 2019, , Click Here (DOI)
B. Borthakur and A. K. Phukan, Can Carbene Decorated [FeFe]-Hydrogenase Model Complexes Catalytically Produce Dihydrogen? An Insight from Theory., Dalton Trans, 48, 11298–11307, 2019, ,, Click Here (DOI)
P. Bharadwaz and A. K. Phukan, Introducing N-Heterocyclic Borylenes: Theoretical Prediction of Stable, Neutral, Monomeric Boron(I) Carbenoids., Inorg. Chem., 58, 5428-5432, 2019, 58, 5428-5432, Click Here (DOI)
S. Gomosta, K. Saha, U. Kaur, K. Pathak, T. Roisnel, A. K. Phukan, and S. Ghosh., Hydroboration of Alkynes:η4‑Alkene−Borane versus η4‑E‑Boratabutadiene., Inorg. Chem., 58(15), 9992-9997., 2019, , Click Here (DOI)
S. S. Rohman, B. Ghosh and A. K. Phukan, In Search of Stable Singlet Metalla-N-Heterocyclic Carbenes (MNHCs): A Contribution from Theory., Dalton Trans., 48(31), 11772-11780., 2019, , Click Here (DOI)
S. S. Rohman, B. Sarmah, B. Borthakur, G. S. Remya, C. H. Suresh and A. K. Phukan., Extending the Library of Boron Bases: A Contribution from Theory., Organometallics, 38(14), 2770-2781., 2019, , Click Here (DOI)
P. Bharadwaz, R. D. Dewhurst and A. K. Phukan, Metal-Free Activation of Enthalpically Strong Bonds: Unraveling the Potential of Hitherto Unexplored Singlet Carbenes., Adv. Synth. Catal. , 360(23), 4543-4561., 2018, , Click Here (DOI)
M. Nutz, B. Borthakur, C. Pranckevicius, R. D. Dewhurst, M. Schäfer, T. Dellermann, F. Glaab, M. Thaler, A. K. Phukan and H. Braunschweig., Release of Isonitrile- and NHC-stabilized Borylenes from Group VI Terminal Borylene Complexes, Chem. Eur. J. , 24(26), 6843-6847., 2018, , Click Here (DOI)
B. Borthakur, S. Das and A. K. Phukan, Strategies toward Realization of Unsupported Transition Metal–Boron Donor–Acceptor Complexes: An Insight from Theory., Chem. Comm., 54, 4975-4978, 2018, , Click Here (DOI)
A. Modak, S. Rana, A. K. Phukan and D. Maiti, Palladium catalyzed deformylation reaction with detailed experimental and in-silico mechanistic studies., Eur. J. Org. Chem., 2017(28), 4168-4174., 2017, , Click Here (DOI)
P. Bharadwaz, P. Chetia and A. K. Phukan, Electronic and Ligand Properties of Skeletally Substituted Cyclic(Alkyl)(Amino)Carbenes (CAACs) and Their Reactivity Towards Small Molecule Activation: A Theoretical Study., Chem. Eur. J., 23(41), 9926-9936., 2017, , Click Here (DOI)
B. Borthakur, H. Braunschweig, A. Deißenberger, T. Dellermann, R. D. Dewhurst, I. Krummenacher, M. Nutz, A. K. Phukan, M. Schäfer., Synthesis and Trapping of Iminoboranes via M=B/C=N Bond Metathesis, Angew. Chem. Int. Ed., 56(27), 7975-7979., 2017, , Click Here (DOI)
H. Braunschweig, T. Dellermann, R. D. Dewhurst, B. Hupp, T. Kramer, J. Mattock, J. Mies, A. K. Phukan, A. Steffen, A. Vargas, Strongly Phosphorescent Transition Metal p complexes of Boron-Boron Triple Bonds., J. Am. Chem. Soc., 139(13), 4887-4893., 2017, , Click Here (DOI)
B. Borthakur, A. K. Guha and A. K. Phukan, Nature of transannular interaction in heavier group 13 (In, Tl) atranes: A theoretical study, Polyhedron, 125, 113-121., 2017, , Click Here (DOI)
D. K. Roy, R. Borthakur, A. De, B. Varghese, A. K. Phukan and S. Ghosh, Synthesis and Characterization of Bis(sigma)borate and Bis–zwitterionic Complexes of Rhodium and Iridium, Chemistry Select, 1(13), 3757-3761., 2016, , Click Here (DOI)
B. Borthakur, B. Silvi, R. D. Dewhurst and A. K. Phukan, Theoretical Strategies Toward Stabilization of Singlet Remote N-Heterocyclic Carbenes, J. Comp. Chem., 37(16), 1484-1490., 2016, , Click Here (DOI)
P. Bharadwaz, B. Borthakur and A. K. Phukan, Annulated boron substituted N-heterocyclic carbenes: theoretical prediction of highly electrophilic carbenes., Dalton Trans., 44(42), 18656-18664., 2015, , Click Here (DOI)
R. Bertermann, H. Braunschweig, P. Constantinidis, T. Dellermann, R. D. Dewhurst, W. C. Ewing, I. Fischer, T. Kramer, J. Mies, A. K. Phukan and A. Vargas., Exclusive π Encapsulation of Light Alkali Metal Cations by a Neutral Molecule., Angew. Chem. Int. Ed., 54(44), 13090-13094., 2015, , Click Here (DOI)
R. Ramalakshmi, K. Saha, D. K. Roy, B. Varghese, A. K. Phukan and S. Ghosh., New Routes to σ-Borane/Borate Complexes of Molybdenum and Ruthenium: A Continuum., Chem. Eur. J., 21(48), 17191-17195., 2015, , Click Here (DOI)
B. Borthakur and A. K. Phukan., Moving Toward Ylide Stabilized Carbenes., Chem. Eur. J., 21(32), 11603-11609., 2015, , Click Here (DOI)
A. K. Guha, B. Borthakur and A. K. Phukan., Spectroscopic Distinction of Different Carbon Bases: An Insight from Theory., J. Org. Chem., 80(14), 7301-7304., 2015, , Click Here (DOI)
B. Borthakur, T. Rahman and A. K. Phukan, Tuning the Electronic and Ligand Properties of Remote Carbenes: A Theoretical Study., J. Org. Chem, 79(22), 10801-10810., 2014, , Click Here (DOI)
H. Braunschweig, R. D. Dewhurst, F. Hupp, C. Kaufmann, A. K. Phukan, C. Schneider, Q. Ye, Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs., Chem. Sci., 5(10), 4099-4104., 2014, , Click Here (DOI)
P. Bissinger, H. Braunschweig, A. Damme, I. Krummenacher, A. K. Phukan, K. Radacki, S. Sugawara, Isolation of a Neutral Boron-Containing Radical Stabilized by a Cyclic(Alkyl)(Amino)Carbene., Angew. Chem. Int. Ed., 53(28), 7360-7363., 2014, , Click Here (DOI)
A. K. Guha and A. K. Phukan, A 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., J. Org. Chem., 79(9), 3830-3837, 2014, , Click Here (DOI)
R. Bertermann, H. Braunschweig, W. C. Ewing, T. Kramer, A. K. Phukan, A. Vargas, C. Werner, Synthesis and Characterization of a Mercury-Containing Trimetalloboride., Chem. Commun., 50(43), 5729-5732., 2014, , Click Here (DOI)
J. Brand, H. Braunschweig, F. Hupp, A. K. Phukan, K. Radacki, S. S. Sen, A B–C Double Bond Unit Coordinated to Platinum: An Alkylideneboryl Ligand that is Isoelectronic to Neutral Aminoborylene Ligands., Angew. Chem. Int. Ed. , 53(8), 2240-2244, 2014, , Click Here (DOI)
H. Braunschweig, R. D. Dewhurst, C. Hörl, A. K. Phukan, F. Pinzner, S. Ullrich, Direct Hydroboration of B=B Double Bonds: a Mild and Diastereoselective Strategy for the Proliferation of B–B Single Bonds., Angew. Chem. Int. Ed., 53(12), 3241-3244, 2014, , Click Here (DOI)
S. Bertsch, R. Bertermann, H. Braunschweig, A. Damme, R. D. Dewhurst, A. K. Phukan, C. Saalfrank, A. Vargas, B. Wennemann, Q. Ye, Metal-Only Lewis Pairs by Reversible Insertion of Ruthenium and Osmium Fragments into Metal-Boron Double Bonds., Angew. Chem. Int. Ed., 53(16), 4240-4243, 2014, , Click Here (DOI)
H. Braunschweig, A. Damme, R. D. Dewhurst, T. Kramer, I. Krummenacher, A. K. Phukan, Short Survey of the Chemical Reduction Behaviour of the Base-Stabilized Iron Dichloroboryl Complexes [(η5-C5Me5)Fe(CO)2BCl2(LB)], Organometallics, 33(2), 604-606, 2014, , Click Here (DOI)
H. Braunschweig, T. Dellermann, R. D. Dewhurst, W. C. Ewing, K. Hammond, J. O. C. Jimenez-Halla, T. Kramer, I. Krummenacher, J. Mies, A. K. Phukan, A. Vargas, Metal-Free Binding and Coupling of Carbon Monoxide at a Boron-Boron Triple Bond., Nat. Chem., 5(12), 1025-1028, 2013, , Click Here (DOI)
U. Gogoi, A. K. Guha and A. K. Phukan, Tracing the Route to Ammonia: A Theoretical Study on the Possible Pathways for Dinitrogen Reduction Using Tripodal Complexes of Iron., Chem. Eur. J. , 19(33), 11077-11089, 2013, , Click Here (DOI)
A. K. Phukan, A. K. Guha, S. Sarmah and R. D. Dewhurst, Electronic and Ligand Properties of Annelated Normal and Abnormal (Mesoionic) N‑Heterocyclic Carbenes: A Theoretical Study, J. Org. Chem., 78(21), 11032-11039, 2013, , Click Here (DOI)
S. Sarmah, A. K. Guha, A. K. Phukan, A. Kumar and S. R. Gadre, Stabilization of Si(0) and Ge(0) Compounds by Different Silylenes and Germylenes: A Density Functional and Molecular Electrostatic Study., Dalton Trans., 42(36), 13200-13209, 2013, , Click Here (DOI)
A. K. Guha, U. Gogoi and A. K. Phukan, Revisiting the Reactivity of Different Carbon Bases: A Theoretical Study., Int. J. Quant. Chem., 113(22), 2471-2477, 2013, , Click Here (DOI)
A. K. Phukan, A. K. Guha and S. Sarmah, Ligand Properties of Boron Substituted Five, Six and Seven Membered Heterocyclic Carbenes: A Theoretical Study., Organometallics, 32(11), 3238-3248, 2013, , Click Here (DOI)
S. Sarmah, A. K. Guha and A. K. Phukan, 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., Eur. J. Inorg. Chem., 2013(18), 3233-3239., 2013, , Click Here (DOI)
A. K. Phukan and A. K. Guha, Stabilization of Cyclic and Acyclic Carbon(0) Compounds by Differential Coordination of Heterocyclic Carbenes : A Theoretical Assessment., Dalton Trans., 41(29), 8973-8981, 2012, , Click Here (DOI)
A. K. Guha and A. K. Phukan, Do Carbenes have “Hidden” Carbon (0) Character? Revisiting the Electronic Structure of 2,2'-Bipyridyl Carbene., Chem. Eur. J., 18(14), 4419-4425, 2012, , Click Here (DOI)
A. K. Guha, B. Konwar, S. Sarmah and A. K. Phukan, Effect of Substituents at the Heteroatom on the Structure and Ligating Properties of Carbodicarbenes and its Silicon Analogs: A Theoretical Study., Theor. Chem. Acc. , 131, 1-11, 2012, , Click Here (DOI)
U. Gogoi, A. K. Guha and A. K. Phukan, 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(21), 5991-6002, 2011, , Click Here (DOI)
A. K. Guha and A. K. Phukan, Why Vanadium Complexes Perform Poorly in Comparison to Related Molybdenum Complexes in the Catalytic Reduction of Dinitrogen to Ammonia (Schrock Cycle): A Theoretical Study., Inorg. Chem. , 50(18), 8826-8833, 2011, , Click Here (DOI)
A. K. Phukan and A. K. Guha, Nature of Intramolecular Transannular Interaction in Group 13 Atranes: A Theoretical Study, Inorg. Chem., 50(4), 1361-1367, 2011, , Click Here (DOI)
A. K. Phukan and A. K. Guha, Nature of Transannular Intramolecular Interactions in Group 4 and 6 Metallatranes: A Combined DFT and AIM Study., Inorg. Chem. , 50(4), 1361-1367., 2010, , Click Here (DOI)
A. K. Guha, C. Das and A. K. Phukan, Heterocyclic Carbenes Of Diverse Flexibility: A Theoretical Insight, J. Organomet. Chem., 696(2), 586-593, 2010, , Click Here (DOI)
A. K. Guha and A. K. Phukan, Theoretical Study on the Mechanism of Catalytic Reduction of Hydrazine to Ammonia Mediated by Vanadium (III) Thiolate Complexes, Inorganica Chimica Acta , 363(13), 3270-3273, 2010, , Click Here (DOI)
A. K. Guha, S. Sarmah and A. K. Phukan, Effect of substituents at the heteroatom on the structure and ligating properties of heterocyclic carbene, silylene, germylene and abnormal carbene:A theoretical study., Dalton Trans., 39(31), 7374-7383, 2010, , Click Here (DOI)
A. K. Phukan, A. K. Guha and B. Silvi, Is Delocalization a Prerequisite for Stability of Ring Systems: A Case Study of Some Inorganic Rings., Dalton Trans., 39(17), 4126-4137, 2010, , Click Here (DOI)
P. Das, P. P. Sarmah, M. Borah and A. K. Phukan, Low-spin, mononuclear, Fe(III) complexes with P,N donor hemilabile ligands: A combined experimental and theoretical study., Inorganica Chimica Acta, 362(14), 5001-5011., 2009, , Click Here (DOI)
A. J. Thakur, S. Das and A. K. Phukan, Replay of Amide Type Resonance in 6-[(Dimethylamino)methylene]1,3-dimethylamino -uracil: A Dynamic NMR and Density Functional Theory Study., J. Mol. Struct., 929(1-3), 134-140, 2009, , Click Here (DOI)
E. D. Jemmis, P. Parameswaran and A. K. Phukan, Binuclear Organometallic Compounds Containing Planar Tetra Coordinated Carbon Atoms: Theoretical Study on Geometrical and Bonding Patterns., Mol. Phys., 103(6-8), 897-903, 2005, , Click Here (DOI)
A. K. Phukan, Rashmi P. Kalagi, Shridhar R. Gadre, and E. D. Jemmis, Structure,Reactivity and Aromaticity of Acenes and Their BN Analogues : A Density Functional and Electrostatic Investigation, Inorg. Chem., 43(19), 5824-5832, 2004, , Click Here (DOI)
E.D. Jemmis, A.K. Phukan, H. Jiao and U. Rosenthal, Structure and Neutral Homoaromaticity of Metallacyclopentene, pentadiene, pentyne and pentatriene: A Density Functional Study., Organometallics , 22(24), 4958-4965, 2003, , Click Here (DOI)
K. T. Giju, A. K. Phukan and E. D. Jemmis, Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH5, BSi2H5, CBGeH5, and CBSnH5., Angew. Chem. Int. Ed. , 42(5), 539-542, 2003, , Click Here (DOI)
E. D. Jemmis, A. K. Phukan and K. T. Giju, Dependence of the Structure and Stability of Cyclocumulenes and Cyclopropenes on the Replacement of the CH2 Group by Titanocene and Zirconocene: A Density Functional Theory Study., Organometallics, 21(11), 2254-2261, 2002, , Click Here (DOI)
E. D. Jemmis, A. K. Phukan and U. Rosenthal, Structure and bonding of metallacyclocumulenes, radialenes, butadiyne complexes and their possible interconversion: a theoretical study., J. Organomet. Chem., 635(1-2), 204-211, 2001, , Click Here (DOI)
B. Kiran, A. K. Phukan and E. D. Jemmis, Is Borazine Aromatic? Unusual Parallel Behavior between Hydrocarbons and Corresponding B-N Analogues., Inorg. Chem., 40(14), 3615-3618, 2001, , Click Here (DOI)
