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>H. It is necessary to use sufficiently flexible basis sets...
Tallennettuna:
| Päätekijät: | , , |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
MDPI AG
2021-11-01
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| Sarja: | Molecules |
| Aiheet: | |
| Linkit: | https://www.mdpi.com/1420-3049/26/23/7231 |
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