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Phys Chem Chem Phys
; 24(2): 629-633, 2022 Jan 04.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34933326
RESUMO
Thiazetidin-2-ylidenes have been designed as four membered N-heterocyclic carbenes (NHCs) using quantum chemical studies. These species are smaller analogs of thiazol-2-ylidenes, possess high singlet stability (57 kcal mol-1) and large nucleophilicity (3.4 eV). The possible existence of these carbenes has been established by synthesizing and crystalizing compounds with NHCâN+â(thiazetidin-2-ylidene) coordination bonds.