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Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder
Author(s) -
Skorepova Eliska,
Harchani Ali,
Ftini Mohamed Mongi,
Dušek Michal,
Haddad Amor
Publication year - 2020
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229619015596
Subject(s) - polyoxometalate , crystallography , crystal structure , molecule , hydrogen bond , intermolecular force , infrared spectroscopy , chemistry , crystal (programming language) , x ray crystallography , materials science , diffraction , physics , biochemistry , organic chemistry , optics , computer science , programming language , catalysis
The crystal structure, Hirshfeld surface analysis and spectroscopic analysis of a new polyoxometalate (POM) compound, namely, nonakis(2‐methoxyaniline) bis(diphosphopentamolybdate) trihydrate, (C 7 H 9 NO) 9 [P 2 Mo 5 O 23 ] 2 ·3H 2 O, is reported. The title compound was synthesized using the solution method and was structurally characterized by single‐crystal X‐ray diffraction, which revealed P symmetry. A study of the intermolecular interactions using Hirshfeld surface analysis confirmed that the hydrogen‐bonding interactions play the dominant role in the stability of the crystal structure. The refinement was complicated by extensive disorder affecting 11 of the 16 ions and molecules in the asymmetric unit. IR and UV–Vis spectroscopic techniques were used to identify the vibrational modes and to classify this compound as an insulator.