Quantifying variation in cooperative B–H bond activations using Os(<scp>ii</scp>) and Os(<scp>iii</scp>) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different
Sourav Gayen, Faneesha Assanar, Sampad Shyamal, Dorothy Priyanka Dorairaj, Sundargopal Ghosh
Abstract
-7. The kinetic and thermodynamic stability of these isomeric species were investigated on the basis of extensive density functional theory (DFT) calculations. Theoretical calculations also provided insightful information on the electronic nature of the species, generated from B-H activations of boranes.
Topics & Concepts
ChemistryStereochemistryOrganometallic Complex Synthesis and CatalysisCatalytic C–H Functionalization MethodsLanthanide and Transition Metal Complexes