Strength of the [Z–I···Hal]<sup>−</sup> and [Z–Hal···I]<sup>−</sup> Halogen Bonds: Electron Density Properties and Halogen Bond Length as Estimators of Interaction Energy

Strength of the [Z–I···Hal]<sup>−</sup> and [Z–Hal···I]<sup>−</sup> Halogen Bonds: Electron Density Properties and Halogen Bond Length as Estimators of Interaction Energy

Bond energy is the main characteristic of chemical bonds in general and of non-covalent interactions in particular. Simple methods of express estimates of the interaction energy, E<sub>int</sub>, using relationships between E<sub>int</sub> and a property which is easily acces...

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Bibliographic Details
Main Author: Maxim L. Kuznetsov
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Molecules
Subjects:
bond critical point properties
interaction energy
bond energy
bond strength
density functional theory
electron density
Online Access:https://www.mdpi.com/1420-3049/26/7/2083

Internet

https://www.mdpi.com/1420-3049/26/7/2083

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