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Probing Ionic Crystals by the Invariom Approach: An Electron Density Study of Guanidinium Chloride and Carbonate
Author(s) -
Nelyubina Yulia V.,
Lyssenko Konstantin A.
Publication year - 2015
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201500296
Subject(s) - ionic bonding , chloride , ion , carbonate , charge density , electron density , diffraction , materials science , chemistry , inorganic chemistry , electron , crystallography , chemical physics , physics , organic chemistry , optics , quantum mechanics
A comparative study of two guanidinium salts, chloride and carbonate, is carried out to test the performance of the invariom approach for ionic crystals. Although treating them as formed by isolated ions with no charge transfer between them, the invariom approach provides features of interionic contacts that are amazingly similar to those obtained from conventional charge density analysis of high‐resolution X‐ray diffraction data, thus emerging as an easy way towards reliable description of chemical bonding peculiarities in ionic crystals.