Hydrogen vs. Halogen Bonds in 1-Halo-<i>Closo</i>-Carboranes

Hydrogen vs. Halogen Bonds in 1-Halo-<i>Closo</i>-Carboranes

A theoretical study of the hydrogen bond (HB) and halogen bond (XB) complexes between 1-halo-<i>closo</i>-carboranes and hydrogen cyanide (NCH) as HB and XB probe has been carried out at the MP2 computational level. The energy results show that the HB complexes are more stable than the X...

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Bibliographic Details
Main Authors: Ibon Alkorta, Jose Elguero, Josep M. Oliva-Enrich
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:Materials
Subjects:
<i>closo</i>-carboranes
hydrogen bonds
halogen bonds
1-halobenzenes
Online Access:https://www.mdpi.com/1996-1944/13/9/2163

Internet

https://www.mdpi.com/1996-1944/13/9/2163

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