Issue 18, 2023

Yet another perspective on hole interactions, part II: lp-hole vs. lp-hole interactions

Abstract

Most of the experimental and theoretical work in hole interactions (HIs) is mainly focused on exploiting the nature and characteristics of σ and π-holes. In this perspective, we focus our attention on understanding the origin and properties of lone-pair holes. These holes are present on an atom opposite to its lone-pair region. Utilizing some new and old examples, such as X3N/P⋯F (X = F/Cl/Br/I), F-Cl/Br/I⋯H3P⋯NCH and H3B–NBr3 along with other molecular systems, we explored to what extent these lp-holes participate in lp-hole interactions, if they participate at all.

Graphical abstract: Yet another perspective on hole interactions, part II: lp-hole vs. lp-hole interactions

Supplementary files

Article information

Article type
Perspective
Submitted
16 1月 2023
Accepted
17 2月 2023
First published
20 2月 2023

Phys. Chem. Chem. Phys., 2023,25, 12641-12649

Yet another perspective on hole interactions, part II: lp-hole vs. lp-hole interactions

R. Shukla, D. Yu, T. Mu and S. Kozuch, Phys. Chem. Chem. Phys., 2023, 25, 12641 DOI: 10.1039/D3CP00225J

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