Hydrogen and Lithium Bonds-Lewis Acid Units Possessing Multi-Center Covalent Bonds

Overview

Journal Molecules

Publisher MDPI

Specialty Biology

Date 2021 Nov 27

PMID 34834037

Citations 2

Authors

Mohammad Aarabi

Samira Gholami

Slawomir J Grabowski

Affiliations

Soon will be listed here.

Abstract

MP2/aug-cc-pVTZ calculations were carried out on complexes wherein the proton or the lithium cation is located between π-electron systems, or between π-electron and σ-electron units. The acetylene or its fluorine and lithium derivatives act as the Lewis base π-electron species similarly to molecular hydrogen, which acts as the electron donor via its σ-electrons. These complexes may be classified as linked by π-H∙∙∙π/σ hydrogen bonds and π-Li∙∙∙π/σ lithium bonds. The properties of these interactions are discussed, and particularly the Lewis acid units are analyzed, because multi-center π-H or π-Li covalent bonds may occur in these systems. Various theoretical approaches were applied here to analyze the above-mentioned interactions-the Quantum Theory of Atoms in Molecules (QTAIM), the Symmetry-Adapted Perturbation Theory (SAPT) and the Non-Covalent Interaction (NCI) method.

Citing Articles

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