Issue 20, 2024

Can we quantitatively evaluate the mutual impacts of intramolecular metal–ligand bonds the same as intermolecular noncovalent bonds?

Abstract

In this paper, we have reviewed several equations for calculating the cooperative energy of two chemical bonds between three fragments/species, regardless of whether they are atoms, ions or molecules, and whether the bonds between them are intra- or intermolecular. It is emphasized that two chemical bonds upon cooperation in a new compound change the bond dissociation energy of each other exactly by the same quantitative value, their cooperative energy, regardless of the nature of the bonds or whether one bond is very weak and another one is very strong. However, the final benefit/drawback of weak bonds from this cooperation can be considerably larger than that of strong bonds. The above statements are supported by a computational study on the various types of inter- and intramolecular chemical bonds.

Graphical abstract: Can we quantitatively evaluate the mutual impacts of intramolecular metal–ligand bonds the same as intermolecular noncovalent bonds?

Supplementary files

Article information

Article type
Paper
Submitted
31 Mar 2024
Accepted
30 Apr 2024
First published
30 Apr 2024

Phys. Chem. Chem. Phys., 2024,26, 15005-15017

Can we quantitatively evaluate the mutual impacts of intramolecular metal–ligand bonds the same as intermolecular noncovalent bonds?

S. S. Movafagh and S. Salehzadeh, Phys. Chem. Chem. Phys., 2024, 26, 15005 DOI: 10.1039/D4CP01343C

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