Vipin Raj K., Ph.D.
Research Associate
Theoretical Sciences Unit
JNCASR, Bengaluru-560064, India
Research Interests
I am a computational chemist who seeks insights (and possibly predicts!) into various chemical phenomena using the principles of quantum chemistry, thermodynamics, and chemical kinetics.
Currently, I am interested in the following research domains areas;
(1) Heterogeneous and homogeneous catalysis
(2) Bonding and reactivity of molecules
(3) Single-molecule magnets
Education
2018 - 2023 Doctor of Philosophy (Ph.D.), Computational Chemistry
CSIR-National Chemical Laboratory, Pune, India.
Mentor: Dr. Kumar Vanka
2011 - 2013 Master of Science (Chemistry)
Malabar Christian College (University of Calicut), Kozhikode.
2009 - 2011 Bachelor of Science (Chemistry, Physics, and Mathematics)
Malabar Christian College (University of Calicut), Kozhikode.
Research Experience
2023 - Present Research Associate
Theoretical Sciences Unit, JNCASR, Bengaluru, India.
Mentor: Prof. Swapan K. Pati
2017 - 2018 Project Assistant - III
PMC Division, CSIR-NCL, Pune, India.
Mentor: Dr. Kumar Vanka
2015 - 2017 Project Assistant -II
PMC Division, CSIR-NCL, Pune, India.
Mentor: Dr. Kumar Vanka
2014 - 2015 Project-Junior Research Fellow
Department of Chemistry, NIT Calicut, India.
Mentors: Prof. Parameswaran Pattiyil & Dr. Susmita De
Publications
20. Jain, S.;** Raj, K. V.;** Vanka, K. Computational studies of Small Molecule Activation Using Low-Valent Group 13 and 14 elements. EIBC, 2024, just accepted.
19. Pahar, S.; Sharma, V.; Raj, K. V.; Sangole, M. P.; George, C. P.; Singh, K.; Vanka, K.; Gonnade, R. G.; Sen, S. S. Tridentate NacNac Tames T-Shaped Nickel(I) Radical. Chem. Eur. J. 2023, e202303957.
18. Kumar, R.; Mahata, B.; Gayathridevi, S.; Raj, K. V.; Vanka, K.; Sen, S. S. Lanthanide Mimicking by Magnesium for Oxazolidinone Synthesis. Chem. Eur. J. 2023, e202303478.
17. Ajithkumar, V. S.; Ghanwat, P.; Raj, K. V.; Vanka, K.; Gonnade, R. G.; Sen, S. S. Synthesis of Si(IV) and Ge(II) Substituted Amines, Hydrazone, and Hydrazine from Hypersilyl Germylene. Organometallics 2023, 42, 2983-2990.
16. Kundu, G.; Amrutha, P. R.; Raj, K. V.; Tothadi, S.; Vanka, K.; Sen, S. S. Taming the parent oxoborane. Chem. Sci. 2023, 14, 5894-5898.
15. Raj, K. V.;* Gupta, V. K.; Vanka, K. The Potential Role of Lewis Acid-Base Adducts in Enhancing Stereoselectivity in Ziegler-Natta Catalysts: A DFT Study. J. Phys. Chem. C 2023, 127, 7220-7229.
14. Bisai, M. K.; Ajithkumar, V. S.; Raj, K. V.; Vanka, K.; Gonnade, R. G.; Sen, S. S. A zwitterionic disilanylium from an unsymmetric disilene. Chem Commun. 2023, 59, 1669-1672.
13. Kundu, G.; Ajithkumar, V. S.; Raj, K. V.; Vanka, K.; Tothadi, S.; Sen, S. S. Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation. Chem Commun. 2022, 58, 3783-3786.
12. Dey, S.; Das, S.; Patel, A.; Raj, K. V.; Vanka, K.; Manna, D. Antimicrobial Two-Dimensional Covalent Organic Nanosheets (2D-CONs) for Fast and Highly Efficient Capture and Recovery of Phosphate Ions from Water. J. Mater. Chem. A. 2022, 10, 4585-4593.
11. Sen, A.; Kumar, R.; Pandey, S.; Raj, K. V.; Kumar, P.; Vanka, K.; Chikkali, S. H. Mechanistically Guided One-Pot Synthesis of Phosphine-phosphite and Implications in Asymmetric Hydrogenation. Eur. J. Org. Chem. 2022, e202101447.
10. Raj, K. V.; Dhote, P. S.; Vanka, K.; Ramana, C. V. Gold-Catalyzed Complementary Nitroalkyne Internal Redox Process: A DFT Study. Front. Chem. 2021, 9:689780.
9. Bisai, M. K.; Swamy, V. S. V. S. N.; Raj, K. V.; Vanka, K.; Sen, S. S. Diverse Reactivity of Hypersilylsilylene with Boranes and Three-component Reactions with Aldehyde and HBpin. Inorg. Chem. 2021, 60, 1654-1663.
8. Raj, K. V.; Kumawat, J.; Dhamaniya, S.; Subaramanian, M.; Balaraman, E.; Gupta, V. R.; Vanka, K.; Grubbs, R. H. Insights into the Nature of Self-Extinguishing External Donors for Ziegler-Natta Catalysis: A Combined Experimental and DFT Study. ChemCatChem 2020, 13, 674-681.
7. Yadav, S.; Kumar, R.; Raj, K. V.; Yadav, P.; Vanka, K.; Sen, S. S. Amidinato Germylene-Zinc Complexes: Synthesis, Bonding, and Reactivity. Chem. Asian J. 2020, 15, 3116-3121.
6. Ranjeesh, K. C.; Illathvalappil, R.; Veer, S. D.; Peter, J.; Wakchaure, V. C.; Goudappagouda, Raj, K. V.; Kurungot, S.; Babu, S. S. Imidazole-Linked Crystalline Two-Dimensional Polymer with Ultrahigh Proton-Conductivity. J. Am. Chem. Soc. 2019, 141, 14950-14954.
5. Swamy, V. S. V. S. N.; Raj, K. V.; Vanka, K.; Sen, S. S.; Roesky, H. W. Silylene induced cooperative B–H bond activation and unprecedented aldehyde C–H bond splitting with amidinate ring expansion. Chem. Commun. 2019, 55, 3536-3539.
4. Pahar, S.; Karak, S.; Pait, M.; Raj, K. V.; Vanka, K.; Sen, S. S. Access to Silicon(II)– and Germanium(II)–Indium Compounds. Organometallics 2018, 37, 1206-1213.
3. Pandey, S.; Raj, K. V.; Shinde, D. R.; Vanka, K.; Kashyap, V.; Kurungot, S.; Vinod, C. P.; Chikkali, S. H. Iron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process. J. Am. Chem. Soc. 2018, 140, 4430-4439.
2. Raj, K. V.; Vanka, K. Understanding Ziegler–Natta catalysis through your laptop. Resonance 2017, 22, 1025-1037.
1. Swamy, V. S. V. S. N.; Parvin, N.; Raj, K. V.; Vanka, K.; Sen, S. S. C(sp3)–F, C(sp2)–F and C(sp3)–H bond activation at silicon(ii) centers. Chem. Commun. 2017, 53, 9850-9853.
* As a corresponding author
** These two authors contributed equally to this work
Contact
VIPIN RAJ K., Ph.D.
Research Associate
Theoretical Sciences Unit
JNCASR, Bengaluru-560064, India
Mob: 9673800210 | 9747019404