4.5 Article Proceedings Paper

CHEMICAL BONDING BEHAVIORS OF N-H•••O HYDROGEN BONDS OF NH4+•••O SYSTEMS IN INORGANIC CRYSTALS

Journal

MODERN PHYSICS LETTERS B
Volume 23, Issue 31-32, Pages 3943-3950

Publisher

WORLD SCIENTIFIC PUBL CO PTE LTD
DOI: 10.1142/S0217984909022046

Keywords

Hydrogen bond; original bond length; inorganic crystal materials

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The original length d(0) of N-H and H center dot center dot center dot O bonds in various inorganic NH4+center dot center dot center dot O systems was comprehensively studied from a chemical bond view point. Two linear relationships between d(0) and the average bond lengths of each NH4+center dot center dot center dot O system, d(0,N-H) versus (d) over bar (N-H) and d(0,H center dot center dot center dot O) versus (d) over bar (H center dot center dot center dot O), were respectively established. It is indicated that d(0) is affected by the crystalline environment evidently, therefore, the valence electron distribution of hydrogen atom which depends on the lengthening degree of the original bond length is strongly affected by the chemical environment of hydrogen atoms. The obtained valence electron distributions of hydrogen are in a good agreement with the bond valence sum rule, and their overall applicability to ammonium ion interactions was discussed.

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