研究紹介
研究テーマ
Retention or retraction of chiral memory in polymers
キーワード
Computational chemistry; nature of interactions; weak forces
研究概要
During the Ph.D., I was focused on the study of the structure, thermodynamic stability, and the nature of bonding of metal-ligand bonded complexes using several quantum-chemical techniques. Currently, I am interested on the study of electronic properties of molecular electrides and dynamical behaviour of macromolecular, polymer systems.
代表的な研究成果
- Intriguing Structural, Bonding and Reactivity Features in Some Beryllium Containing Complexes
S. Pan, G. Jana, R. Saha, L. Zhao, P. K. Chattaraj, Phys. Chem. Chem. Phys., 2020, 22, 27476-27495
DOI: 10.1039/D0CP04912C - Filling the Void: Controlled Donor-Acceptor Interaction Facilitates the Formation of an M-M Single Bond in the Zero Oxidation State of M (M = Zn, Cd, Hg)
R. Saha, S. Pan, P. K. Chattaraj, G. Merino, Dalton Trans., 2020, 49, 1056-1064
DOI: 10.1039/C9DT04213J - A Complex Containing Four Magnesium Atoms and Two Mg–Mg Bonds Behaving as an Electride.
R. Saha, P. Das, P. K. Chattaraj, Eur. J. Inorg. Chem., 2019, 38, 4105-4111
DOI: 10.1002/ejic.201900813 - Unprecedented Bonding Situation in Viable E2(NHBMe)2 (E = Be, Mg; NHBMe = (HCNMe)2B) Complexes: Neutral E2 Forms a Single E-E Covalent Bond
R. Saha, S. Pan, G. Merino, P. K. Chattaraj, Angew. Chem. Int. Ed., 2019, 58, 8372-8377
DOI: 10.1002/anie.201900992 - Activation of Small Molecules (H2, CO2, N2O, CH4, and C6H6) by a Porphyrinoid-Based Dimagnesium(I) Complex, an Electride
R. Saha, P. K. Chattaraj, ACS Omega, 2018, 3, 17199–17211
DOI: 10.1021/acsomega.8b03006