Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study

In this manuscript, we combined DFT calculations (PBE0-D3/def2-TZVP level of theory) and a Cambridge Structural Database (CSD) survey to evaluate the ability of perchlorinated cyclopenta- and cyclohexatetrelanes in establishing tetrel bonding interactions. For this purpose, we used Tr(5)Cl(10) and T...

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Detalles Bibliográficos
Autores principales: Bauzá, Antonio, Frontera, Antonio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6100242/
https://www.ncbi.nlm.nih.gov/pubmed/30029469
http://dx.doi.org/10.3390/molecules23071770

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6100242/
https://www.ncbi.nlm.nih.gov/pubmed/30029469
http://dx.doi.org/10.3390/molecules23071770

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