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No Need for a Re‐examination of the Electrostatic Notation of the Hydrogen Bonding: A Comment
Author(s) -
Frenking Gernot,
Caramori Giovanni F.
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201411374
Subject(s) - hydrogen bond , ion , chemistry , decomposition , notation , computational chemistry , electron density , hydrogen , bond energy , electron , chemical physics , atomic physics , materials science , physics , molecule , organic chemistry , mathematics , quantum mechanics , arithmetic
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.