title: Bond-valence parameters for ammonium-anion interactions.
abstract: Bond-valence parameters r0 and b, relating bond valence and bond length, are calculated for interactions between the ammonium ion and anions X = O, F, Cl. Searches in the Cambridge Structural Database (CSD) and in the Inorganic Crystal Structural Database (ICSD) were performed to obtain the lengths of NH4+...X contacts for ammonium ion environments in different structures. The procedure, which represents an extension of previous methods, allows certain environments to be rejected and enables the calculation of r0 and b from a reasonable range of interaction distances. Results are in very good agreement with the expected values on the basis of the assumed bond-valence model and their overall applicability to ammonium ion interactions is discussed.
authors.affiliation: Dpto Física Fundamental y Experimental, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez s/n, E-38204 La Laguna, Tenerife, Spain.
authors.forename: L
authors.initials: L
authors.lastname: García-Rodríguez
authors.forename: A
authors.initials: A
authors.lastname: Rute-Pérez
authors.forename: J R
authors.initials: JR
authors.lastname: Piñero
authors.forename: C
authors.initials: C
authors.lastname: González-Silgo
mesh_terms: D000838:Anions / Q000737:chemistry; D019992:Databases as Topic; D008956:Models, Chemical; D015394:Molecular Structure; D000644:Quaternary Ammonium Compounds / Q000737:chemistry*
chemical_list: D000838:Anions; D000644:Quaternary Ammonium Compounds