Characterization of the short O![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
C⋯OC π-hole tetrel bond in the solid state†
Rahul
Shukla 
a
and
Deepak
Chopra
*a
a
and
Deepak
Chopra
*a
Abstract
The nature and characteristics of the intermolecular OC⋯OC π-hole tetrel bond in the solid state have been explored and the driving force for tetrel bond formation is the electrostatically driven π-hole interaction between the most electropositive carbon atom of the carbonyl group and the most electronegative oxygen atom in the crystal. NBO calculations establish the n → π* orbital interaction present and CSD analysis quantitatively establishes the Bürgi–Dunitz angle to be ∼97.7° driven via tetrel bond formation.
![Graphical abstract: Characterization of the short O [[double bond, length as m-dash]] C⋯O [[double bond, length as m-dash]] C π-hole tetrel bond in the solid state](/zh-CN/Image/Get?imageInfo.ImageType=GA&imageInfo.ImageIdentifier.ManuscriptID=C8CE00697K&imageInfo.ImageIdentifier.Year=2018)
- This article is part of the themed collection: 1st International Conference on Noncovalent Interactions
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![[double bond, length as m-dash]](https://www.rsc.org/images/entities/h2_char_e001.gif)
C⋯O
