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Prof. Ashwini K. Phukan

Academic Profile | Research Interests | Awards | List of Publications | Conferences Attended | Research Project | Research Group






akp-photo.JPG (1178649 bytes)

Professor, Department of Chemical Sciences

Tezpur University, Tezpur – 784 028
Phone (Office): +91 3712 275060
Fax: +91 3712 267005/6
E–mail:
ashwini@tezu.ernet.in

Academic Profile:

·         M. Sc. in Chemistry, Dibrugarh University, Dibrugarh, Assam, in 1996.

·         Ph. D. in Chemistry fron University of Hyderabad, India.

Awards & Honors:

·         CSIR/NET in 1997

·         Chemical Research Society of India Bronze Medal (2015) in Recognition of the Contributions to Research in Chemistry.

·         American Chemical Society (ACS) Membership Award (July, 2015 – July, 2017).

Research Interests:

·         Theoretical Studies on Structure and Reactivity of Main Group and Transition Metal Organometallic Compounds.

List of Publications:

 

1. 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, 10.1002/ejoc.201700451 (accepted for publication).

2. 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. 2017, doi:10.1002/chem.201701645 (accepted for publication).

3. 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. 2017, doi: 10.1002/anie.201703324 (accepted for publication).

4. 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. 2017, 139, 4887–4893.

5. B. Borthakur, A. K. Guha and A. K. Phukan, Nature of transannular interaction in heavier group 13 (In, Tl) atranes: A theoretical study, Polyhedron 2017, 125, 113-121.

6. 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 2016, 1, 37573761.

7. B. Borthakur, B. Silvi, R. D. Dewhurst and A. K. Phukan, Theoretical Strategies Toward Stabilization of Singlet Remote N-Heterocyclic Carbenes, J. Comp. Chem. 2016, 37, 1484-1490.

8. P. Bharadwaz, B. Borthakur and A. K. Phukan, Annulated boron substituted N-heterocyclic carbenes: theoretical prediction of highly electrophilic carbenes, Dalton Transactions 2015, 44, 18656-18664.

9. 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. 2015, 54, 13090 – 13094.

10. R. Ramalakshmi, K. Saha, D. K. Roy, B. Varghese, A. K. Phukan and S. Ghosh, Novel Routes to σ-Borane/Borate Complexes of Molybdenum and Ruthenium: A Continuum, Chem. Eur. J. 2015, 21, 17191 – 17195.

11. B. Borthakur and A. K. Phukan, Moving Toward Ylide Stabilized Carbenes, Chem. Eur. J. 2015, 21, 11603-11609.

12. A. K. Guha, B. Borthakur and A. K. Phukan, Spectroscopic Distinction of Different Carbon Bases: An Insight from Theory, J. Org. Chem. 2015, 80, 7301-7304.

13. B. Borthakur, T. Rahman and A. K. Phukan, Tuning the Electronic and Ligand Properties of Remote Carbenes: A Theoretical Study, J. Org. Chem. 2014, 79, 10801-10810.

14. 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. 2014, 3, 4099–4104.

15. 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. 2014, 53, 7360–7363.

16. 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. 2014, 79, 3830-3837.

17. 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. 2014, 50, 5729 – 5732.

18. 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. 2014, 53, 2240–2244.

19. 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. 2014, 53, 3241–3244.

20. 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. 2014, 53, 4240 – 4243.

21. 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 2014, 33, 604–606.

22. 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. 2013, 5, 1025–1028.

23. 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. 2013, 19, 11077 - 11089.

24. A. K. Phukan, A. K. Guha, S. Sarmah and R. D. Dewhurst, Electronic and Ligand Properties of Annelated Normal and Abnormal (Mesoionic) NHeterocyclic Carbenes: A Theoretical Study, J. Org. Chem. 2013, 78, 11032−11039.

25. 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. 2013, 42, 13200 - 13209.

26. A. K. Guha, U. Gogoi and A. K. Phukan, Revisiting the Reactivity of Different Carbon Bases: A Theoretical Study, Int. J. Quant. Chem. 2013, 113, 24712477.

27. 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 2013, 32, 3238-3248.

28. 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, 3233-3239.

29. 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. 2012, 41, 8973–8981.

30. 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. 2012 , 18, 4419 - 4425.

31. 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. 2012, 131, 1134.

32. 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 2011, 30, 5991–6002.

33. 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. 2011, 50, 8826-8833.

34. A. K. Phukan and A. K. Guha, Nature of Intramolecular Transannular Interaction in Group 13 Atranes: A Theoretical Study,  Inorg. Chem. 2011, 50, 1361–1367.

35. 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. 2010, 49, 9884-9890.

36. A. K. Guha, C. Das and A. K. Phukan, Heterocyclic Carbenes Of Diverse Flexibility: A Theoretical Insight, J. Organomet. Chem. 2010, 696, 586–593.

37. 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, 2010, 363, 3270–3273.

38. 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. 2010, 39, 7374–7383.

39. 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. 2010, 39, 4126–4137.

40. 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, 2009, 362, 500 –5011.

41. 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, Journal of Molecular Structure, 2009, 929, 134–140.

42. 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, Molecular Physics 2005, 103, 897-903.

43. 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. 2004, 43, 5824-5832.

44. 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 2003, 22, 4958-4965.

45. 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. 2003, 42, 539-542.

46. 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 2002, 21, 2254- 2261.

47. 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. 2001, 635, 204–211.

48. B. Kiran, A. K. Phukan and E. D. Jemmis, Is Borazine Aromatic? Unusual Parallel Behavior between Hydrocarbons and Corresponding B-N Analogues, Inorg. Chem. 2001, 40, 3615-3618.

 

Research Project:

Theoretical Study of some catalysts for Olefin Polymerization and Organometallic Chemical Vapor Depostion (OMCVD), DST (Completed).

 

Research Group:

Present Students

Bitupon Borthakur

Qualification: M. Sc from Dibrugarh Universtiy
Email:
bituponborthakur@gmail.com
Research Area: Theoretical studies on structure and reactivity of heterobimetallic complexes.

Ujjal Gogoi

 

Qualification: M. Sc from Tezpur Universtiy
Email:
ujjal10@tezu.ernet.in
Research Area: Theoretical studies on structure and reactivity of heterobimetallic complexes.

 

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Priyam Bharadwaz

 

Qualification: M. Sc from Tezpur Universtiy
Email:
Research Area:

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Past Students

Dr. Ankur Kanti Guha

Present address: Assistant Professor, Cotton College State University
Email:
ankurkantiguha@gmail.com
Research Area: Theoretical studies of electronic structure and stability of inorganic ring systems, novel catalysts for olefin polymerization and fixation of dinitrogen by different transition metal complexes

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Satyajit Sarmah

Qualification: M. Sc from Gauhati Universtiy
Email:
satyajit.gu@gmail.com
Research Area: Theoretical studies on heterocyclic carbenes, its heavier analogues and their complexes with main group and transition metals fragments.

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