Back to Search
Start Over
Hydrogen and Lithium Bonds—Lewis Acid Units Possessing Multi-Center Covalent Bonds
- Source :
- Molecules, Volume 26, Issue 22, Molecules, Vol 26, Iss 6939, p 6939 (2021)
- Publication Year :
- 2021
- Publisher :
- Multidisciplinary Digital Publishing Institute, 2021.
-
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.
- Subjects :
- Pharmaceutical Science
chemistry.chemical_element
Organic chemistry
Electron donor
Article
Analytical Chemistry
chemistry.chemical_compound
QD241-441
Drug Discovery
lithium bond
Lewis acids and bases
Physical and Theoretical Chemistry
NCI method
hydrogen bond
SAPT
Hydrogen bond
Atoms in molecules
Crystallography
chemistry
Acetylene
QTAIM
Chemistry (miscellaneous)
Covalent bond
Molecular Medicine
Lithium
multi-center covalent bond
Lithium Cation
Subjects
Details
- Language :
- English
- ISSN :
- 14203049
- Database :
- OpenAIRE
- Journal :
- Molecules
- Accession number :
- edsair.doi.dedup.....f47d964850e1b0d52c72ef744b1c43d8
- Full Text :
- https://doi.org/10.3390/molecules26226939