The σ-hole revisited-Reference-Cited by-同舟云学术

The σ-hole revisited

Published:2017 Issue:48 Volume:19 Page:32166-32178
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Politzer Peter¹²³⁴^ORCID,Murray Jane S.¹²³⁴,Clark Timothy⁵⁶⁷⁸⁹^ORCID,Resnati Giuseppe¹⁰¹¹¹²¹³^ORCID

Affiliation:

1. Department of Chemistry

2. University of New Orleans

3. New Orleans

4. USA

5. Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials

6. Department of Chemistry and Pharmacy

7. Friedrich-Alexander-Universität

8. Erlangen-Nürnberg

9. 91052 Erlangen

10. Laboratory of Nanostructured Fluorinated Materials (NFMLab)

11. Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”

12. 20131 Milano

13. Italy

Abstract

A covalently-bonded atom typically has a region of lower electronic density, a “σ-hole,” on the side of the atom opposite to the bond, approximately along its extension. There is often a positive electrostatic potential (strongest shown in red) associated with a σ-hole, although it may deviate from the extension of the bond.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP06793C

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