Issue 24, 2018

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

Abstract

The nature and characteristics of the intermolecular O[double bond, length as m-dash]C⋯O[double bond, length as m-dash]C 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

Supplementary files

Article information

Article type
Communication
Submitted
30 Apr. 2018
Accepted
14 Maijs 2018
First published
14 Maijs 2018

CrystEngComm, 2018,20, 3308-3312

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

R. Shukla and D. Chopra, CrystEngComm, 2018, 20, 3308 DOI: 10.1039/C8CE00697K

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements