Yet another perspective on hole interactions, part II: lp-hole vs. lp-hole interactions.
Phys Chem Chem Phys
; 25(18): 12641-12649, 2023 May 10.
Article
em En
| MEDLINE
| ID: mdl-36847568
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/Pâ¯F- (X = F/Cl/Br/I), F-Cl/Br/Iâ¯H3Pâ¯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.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2023
Tipo de documento:
Article