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

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 Tr5Cl10 and Tr6Cl...

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Bibliographic Details
Main Authors: Antonio Bauzá, Antonio Frontera
Format: Article
Language:English
Published: MDPI AG 2018-07-01
Series:Molecules
Subjects:
tetrel bonding interactions
CSD search
DFT calculations
AIM analysis
Online Access:http://www.mdpi.com/1420-3049/23/7/1770

Internet

http://www.mdpi.com/1420-3049/23/7/1770

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