Experimental Charge Density Evidence for Pnicogen Bonding in a Crystal of Ammonium Chloride | Zendy

Nelyubina Yulia V. | Zendy; Korlyukov Alexander A. | Zendy; Lyssenko Konstantin A. | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Premium

Experimental Charge Density Evidence for Pnicogen Bonding in a Crystal of Ammonium Chloride

Author(s) -

Nelyubina Yulia V.,

Korlyukov Alexander A.,

Lyssenko Konstantin A.

Publication year - 2015

Publication title -

chemphyschem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.201402673

Subject(s) - supramolecular chemistry , ammonium , chemistry , ammonium chloride , salt (chemistry) , crystal (programming language) , density functional theory , electron density , chemical bond , crystal structure , crystallography , chloride , electron localization function , quantum chemistry , inorganic chemistry , computational chemistry , chemical physics , electron , organic chemistry , physics , quantum mechanics , computer science , programming language

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.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research