Bicyclic (alkyl)(amino)carbene stabilized zinc(0) complex with singlet biradicaloid ground state.

N M Rajendran Nimisha GautamPallavi SarkarJasimuddin Ahmed Arpan Das Shubhajit Das Swapan K Pati Swadhin K Mandal

Published in: Chemical communications (Cambridge, England) (2021)

A storable bicyclic (alkyl)(amino)carbene (BICAAC) stabilized two coordinate zinc(0) complex [(BICAAC)2Zn] (2) was synthesized. DFT calculations reveal that BICAAC plays a decisive role in imparting the stability to 2. This complex activates the C(sp3)-Cl bond of trityl chloride generating the Gomberg's free radical with greater efficiency than metallic Zn powder.

Keyphrases

density functional theory
oxide nanoparticles
heavy metals
molecular dynamics
molecular dynamics simulations
genome wide
risk assessment
single cell
molecular docking