Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np)
نویسندگان
چکیده
منابع مشابه
Predicted group 4 tetra-azides M(N3)(4) (M = Ti-Hf, Th): the first examples of linear M-NNN coordination.
Quantum chemical calculations suggest that group 4 tetra-azides M(N(3))(4), where M = Ti, Zr, Hf, and Th, are stable species. They present a unique structural feature; namely, the M-N-N-N fragments are linear. These species are energetically more stable than the corresponding isomers with general formula eta(5)-N(5) -M-eta(7)-N(7), and the Th species, Th(N(3))(4), is the most stable of all. Pos...
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Quantum chemical calculations suggest that a series of molecules with the general formula MAu4 are stable, where M = U, Th, and a group-4 atom. They correspond to Au in the formal valence state -1 and indicate that gold can act as a ligand similar to the halogen series. Of the MAu4 species studied, UAu4, the first predicted mixed gold uranium compound, has a short M-Au bond distance, 2.71 A, wh...
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ژورنال
عنوان ژورنال: Inorganic Chemistry
سال: 2018
ISSN: 0020-1669,1520-510X
DOI: 10.1021/acs.inorgchem.8b00077