Tetrel Bonds between Phenyltrifluorosilane and Dimethyl Sulfoxide: Influence of Basis Sets, Substitution and Competition

Tetrel Bonds between Phenyltrifluorosilane and Dimethyl Sulfoxide: Influence of Basis Sets, Substitution and Competition

Ab initio calculations have been performed for the complexes of DMSO and phenyltrifluorosilane (PTS) and its derivatives with a substituent of NH<sub>3</sub>, OCH<sub>3</sub>, CH<sub>3</sub>, OH, F, CHO, CN, NO<sub>2</sub>, and SO<sub>3</sub&g...

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Bibliographic Details
Main Authors: Xiulin An, Xin Yang, Qingzhong Li
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Molecules
Subjects:
tetrel bonds
phenyltrifluorosilane
dimethyl sulfoxide
substituents
competition
Online Access:https://www.mdpi.com/1420-3049/26/23/7231

Internet

https://www.mdpi.com/1420-3049/26/23/7231

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