Y. Nelyubina, A. Korlyukov, K. Lyssenko
Feb 23, 2015
Citations
1
Influential Citations
26
Citations
Journal
Chemphyschem : a European journal of chemical physics and physical chemistry
Abstract
Chemical binding in crystalline ammonium chloride, a simple inorganic salt with an unexpectedly complex bonding pattern, was studied by using a topological analysis of electron density function derived from high-resolution X-ray diffraction. Supported by periodic quantum chemical calculations, it provided experimental evidence for weak σ-hole bonds (1.5 kcal mol(-1) ) that involve ammonium cations in a crystal. Our results show this type of supramolecular interaction to be more numerous than has been found to date by using gas-phase calculations or statistical analysis of CSD.