Hydrothermal synthesis, structure and quantum chemistry of transition metal complex supported by metal-oxo cluster [(Ni(phen)2 2 (ξ-Mo8O26)]

Autor: Xu Ji-Qing, Wang Renzhang, Yang Guang-Di, Ye Ling, BU Weiming, Fan Yuguo, Yang Guoyu, Zeng Qing-Xin, Guo Chunxiao
Rok vydání: 2001
Předmět:
Zdroj: Science in China Series B: Chemistry. 44:137-146
ISSN: 1862-2771
1006-9291
DOI: 10.1007/bf02879531
Popis: A nickel-1,10-phenanthroline complex supported on an octamolybdate, [(Ni(phen)2 2(ξ-Mo8O26)], has been hydrothermally synthesized with MoO3, H2MoO4, Ni(OAc)2 6H3O and 1,10-phenathroline (1,10-phen) as raw materials. The crystals of the compound belong to monoclinic P21/n space group,a = 1.2952(2),b = 1.6659(10),c = 1.3956(12) nm, β =106.273(8)°,V = 2.8906(5) nm3,Z = 2. 5604 observable reflections (I >2σ(I)) were used for structure resolution and refinements to converge to finalR 1 = 0.0414,wR 2 = 0.0815. The result of structure determination shows that the compound contains octamolybdate possessing a novel structure type (named as ξ-isomer). The feature of ξ-[Mo8O26]4- is that it is composed of Mo6O6 ring and two MoO6 octahedral located at cap positions on opposite faces. The Mo6O6 ring contains two octahedral and four trigonal-bipyramidal MoVI atoms. Each ξ-[Mo8O26]4- unit is bonded with two [Ni(phen)2]2+ through terminal oxygen atoms of octahedral and neighbouring trigonal-bipyramidal Mo atom in the Mo6O6 ring. IR and UV-Vis spectra of the compound were measured and its electronic structure was studied by EHMO method.
Databáze: OpenAIRE
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