Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N+ center.
Phys Chem Chem Phys
; 24(2): 629-633, 2022 Jan 04.
Article
em En
| MEDLINE
| ID: mdl-34933326
ABSTRACT
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.
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MEDLINE
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En
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2022
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Article