This study aimed to elucidate the structural nature of the polydisperse, nanoscopic components in the solution and the solid states of partially reduced polyoxomolybdate derived from the [Mo132] keplerate, [(Mo)Mo5]12-[Mo2 acetate]30. Designer tripodal hexamine-tris-crown ethers and nanoscopic molybdate coprecipitated from aqueous solution. These microcrystalline solids distributed particle rad...

Two novel heteropolyoxomolybdate [XMo₈O31]n- (X = Ge(1) or P(2)) manganese carbonyl derivatives [(CH₃)₄N]₆H₆{MnII(GeMo₈O31)[MnI(CO)₃]₂}₂·12H₂O (1) and [(CH₃)₄N]₄H₆{MnII(PMo₈O31)[MnI(CO)₃]₂}₂·14H₂O (2), have been successfully synthesized and characterized in the solid state by single crystal X-ray diffraction, IR and thermogravimetric analysis, and in solution by UV-Vis spectroscopy and electroc...

Density functional calculations with simulated annealing have been used to study the reactions of chains of bisphenol A polycarbonate (BPA-PC) with sodium phenoxide (NaOPh), diphenyl carbonate (DPC), and tetraphenylphosphonium phenoxide (PPh4OPh). These calculations extend our work on the reactions of LiOPh, NaOPh, and phenol with the cyclic tetramer of BPA-PC. We study, in particular, chain gr...

The stability of the (H 2 O) 100 nanodrop, experimentally known from a polyoxomolybdate crystal structure (Müller et al. Inorg. Chem. Commun., 2003, 6, 52) and other structures inferred from clathrate structures and from the literature, are studied by quantum-chemical B3LYP and MP2 computations. Positions for the H atoms in the 100-molecule cluster are suggested, which will then be of C 2h /C i...

Polyoxomolybdates form an interesting class of inorganic materials, which exhibit a wide range of intriguing architectures [1]. They also have a great potential for applications based on their interesting physical behavior, e. g. in catalysis, for electrical conduction, optical response, and magnetism [2]. Many of these organic-inorganic hybrid molybdates are synthesized in the presence of orga...