Self-assembly, geometric and electronic structures, and structure-directing properties of organic-inorganic hybrid salt containing [WO2F4]2 − anions and protonated 2-(2-hydroxyphenyl)benzimidazole cations

One new organic-inorganic hybrid solid salt, [(pbmH)2][WO2F4] (1) (pbm = 2-(2-hydroxyphenyl)benzimidazole) was synthesized via self-assembling technique, calculated/discussed by DFT method, PDOS and OPDOS analyses. The crystal stacking, structure-directing properties, structure distortion, the variation trend of bonding distances of [WO2F4]2- anion, together with their inter-relationships, are well interpreted and discussed.