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 jan 2023
Accepted
17 feb 2023
First published
20 feb 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

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