Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N+ center‡

Literature Information

Publication Date 2021-12-14
DOI 10.1039/D1CP04732A
Impact Factor 3.676
Authors

Gurudutt Dubey, Nutan Mahawar, Tejender Singh, Nirjhar Saha, Subash C. Sahoo, Prasad V. Bharatam


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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 NHC→N+←(thiazetidin-2-ylidene) coordination bonds.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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