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Chemical Bonds without Bonding Electron Density — Does the Difference Electron‐Density Analysis Suffice for a Description of the Chemical Bond?
Author(s) -
Cremer Dieter,
Kraka Elfi
Publication year - 1984
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198406271
Subject(s) - covalent bond , electron density , chemical bond , electron , bond , bond energy , electron localization function , atomic physics , chemistry , bent bond , sextuple bond , materials science , computational chemistry , molecular physics , bond order , crystallography , physics , bond length , molecule , quantum mechanics , organic chemistry , finance , economics , crystal structure
Formation of a covalent bond is not necessarily associated with an increase in electron density in the bonding region. This can be established by analysis of the single electron density distributions ρ( r ) with the aid of the assigned Laplace field ▽ 2 ρ( r ). For “bonds without bonding electron density ρ( r )”, it is decisive that the density ρ( r ) actually present in the region between the atoms results in a decrease in the local energy density and, hence, produces a stabilizing effect.