C∙∙∙O and Si∙∙∙O Tetrel Bonds: Substituent Effects and Transfer of the SiF(3) Group

The tetrel bond (TB) between 1,2-benzisothiazol-3-one-2-TF(3)-1,1-dioxide (T = C, Si) and the O atom of pyridine-1-oxide (PO) and its derivatives (PO-X, X = H, NO(2), CN, F, CH(3), OH, OCH(3), NH(2), and Li) is examined by quantum chemical means. The Si∙∙∙O TB is quite strong, with interaction energ...

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Detalles Bibliográficos
Autores principales: Niu, Zhihao, Wu, Qiaozhuo, Li, Qingzhong, Scheiner, Steve
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10418337/
https://www.ncbi.nlm.nih.gov/pubmed/37569259
http://dx.doi.org/10.3390/ijms241511884

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10418337/
https://www.ncbi.nlm.nih.gov/pubmed/37569259
http://dx.doi.org/10.3390/ijms241511884

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