作为四元氮杂环卡宾的硫氮杂环丁烷-2-亚基：理论研究及与氮中心配合物的生成
Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N center.
作者信息
Dubey Gurudutt, Mahawar Nutan, Singh Tejender, Saha Nirjhar, Sahoo Subash C, Bharatam Prasad V
机构信息
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar-160062, Punjab, India.
Department of Chemistry, Panjab University, Sector 14, Chandigarh, 160014, India.
出版信息
Phys Chem Chem Phys. 2022 Jan 4;24(2):629-633. doi: 10.1039/d1cp04732a.
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) 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.
通过量子化学研究，噻氮杂环丁烷-2-亚基已被设计为四元氮杂环卡宾（NHCs）。这些物种是噻唑-2-亚基的较小类似物，具有高单线态稳定性（57千卡/摩尔）和大亲核性（3.4电子伏特）。通过合成和结晶具有NHC→N←（噻氮杂环丁烷-2-亚基）配位键的化合物，已证实了这些卡宾的可能存在。
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