| Literature DB >> 17249644 |
Yulia V Nelyubina1, Mikhail Yu Antipin, Konstantin A Lyssenko.
Abstract
The electron density distribution function in the crystalline hydroxylammonium chloride obtained using the high-resolution X-ray diffraction technique was analyzed by means of Bader's "atoms in molecule" theory. The anion-anion interactions in the crystal of this ionic material were examined and the energy of the Cl-...Cl- contacts was estimated on the basis of the experimental data. The results obtained coincide well with the theoretical calculations and the X-ray diffraction data for the rock-salts. The existence of such type of interactions was shown to be not the unique feature of inorganic salts with point charge cations.Entities:
Year: 2007 PMID: 17249644 DOI: 10.1021/jp066049u
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781