New O-Centered Titanium Chalcohalide: Synthesis And Structure Of Ti4o(Se-2)(4)Br-6

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE(2021)

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摘要
New O-centered tetranuclear titanium complex Ti4O(Se-2)(4)Br-6 has been prepared from TiSe1.73, Se, SeO2 and Br-2 at moderate temperature by ampule synthesis. Its X-ray crystal structure (monoclinic space group P2(1)/c, a=9.4850(2), b=11.4667(2), c=19.1413(5)angstrom, beta=92.0080(10)degrees, Z=4, V=2080.56(8)angstrom(3)) includes molecular complex Ti4O(Se-2)(4)Br-6 based on fragment {Ti-4(mu(4)-O)} coordinated by diselenide (Se-2)(2-) and bromide bridging ligands. Ti4O(Se-2)(4)Br-6 is a new member of family of O-centered tetranuclear complexes with the fragment {M-4(mu(4)-O)(Q(2))(4)} (M=Ti, Nb, Ta; Q=S, Se, Te); here we discuss its synthetic features, crystal and electronic structure.
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关键词
Titanium Selenide Bromide, Tetranuclear complex, Synthesis, X-ray crystal structure, DFT calculations
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