No need for a re-examination of the electrostatic notation of the hydrogen bonding: A comment

Gernot Frenking; Giovanni F. Caramori

doi:10.1002/anie.201411374

No need for a re-examination of the electrostatic notation of the hydrogen bonding: A comment

Gernot Frenking, Giovanni F. Caramori

Research output: Contribution to journal › Article › peer-review

75 Scopus citations

Abstract

(Chemical Equation Presented) Hydrogen bonds: An approach based on energy decomposition analysis is discussed in the analysis of the bonding energy in hydrogen-bonded anion-anion and cation-cation complexes (see picture The electrostatic Coulombic energy between the two fragments in the complexes is calculated based on the electron density distribution and not based on point charges.

Original language	English
Pages (from-to)	2596-2599
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	54
Issue number	9
DOIs	https://doi.org/10.1002/anie.201411374
State	Published - 23 Feb 2015
Externally published	Yes

Keywords

Chemical bonds
Electrostatic interactions
Hydrogen bonds
Hydrogen-bonded complexes
Quantum-chemical calculations

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10.1002/anie.201411374

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abstract = "(Chemical Equation Presented) Hydrogen bonds: An approach based on energy decomposition analysis is discussed in the analysis of the bonding energy in hydrogen-bonded anion-anion and cation-cation complexes (see picture The electrostatic Coulombic energy between the two fragments in the complexes is calculated based on the electron density distribution and not based on point charges.",

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KW - Chemical bonds

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KW - Hydrogen-bonded complexes

KW - Quantum-chemical calculations

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No need for a re-examination of the electrostatic notation of the hydrogen bonding: A comment

Abstract

Keywords

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