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Updated: Apr 19, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Experimental charge density evidence for pnicogen bonding in a crystal of ammonium chloride
Yulia V Nelyubina1, Alexander A Korlyukov, Konstantin A Lyssenko
1X-ray Diffraction Centre and Quantum Chemistry Department, A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, 119991, Vavilova Str. 28, Moscow (Russia). unelya@xrlab.ineos.ac.ru.
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.
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