Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study

Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study

The effects of Lewis basicity and acidity on σ-hole interactions were investigated using two sets of carbon-containing complexes. In Set I, the effect of Lewis basicity was studied by substituting the X<sub>3</sub>/X atom(s) of the NC-C<sub>6</sub>H<sub>2</sub>-X&...

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Main Authors: Mahmoud A. A. Ibrahim, Mohammed N. I. Shehata, Al-shimaa S. M. Rady, Hassan A. A. Abuelliel, Heba S. M. Abd Elhafez, Ahmed M. Shawky, Hesham Farouk Oraby, Tamer H. A. Hasanin, Mahmoud E. S. Soliman, Nayra A. M. Moussa
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:International Journal of Molecular Sciences
Subjects:
σ-hole interactions
tetrel bonding interactions
Lewis basicity
Lewis acidity
ab initio calculations
Online Access:https://www.mdpi.com/1422-0067/23/21/13023

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