Aromaticity-promoted CS 2 activation by heterocycle-bridged P/N-FLPs: a comparative DFT study with CO 2 capture

Carbon dioxide (CO ) capture has attracted considerable attention from both experimental and theoretical chemists. In comparison, carbon disulfide (CS ) activation is less developed. Here, we carry out a thorough comparative density functional theory study to examine the reaction mechanisms of CS ac...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-01, Vol.24 (4), p.2521-2526
Hauptverfasser:	Li, Yuanyuan, Zhuang, Danling, Qiu, Rulin, Zhu, Jun
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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