Spin–Orbit TDDFT Electronic Structure of Diplatinum(II,II) Complexes
نویسندگان
چکیده
منابع مشابه
Spin-orbit TDDFT electronic structure of diplatinum(II,II) complexes.
[Pt2(μ-P2O5H2)4](4-) (Pt(pop)) and its perfluoroborated derivative [Pt2(μ-P2O5(BF2)2)4](4-) (Pt(pop-BF2)) are d(8)-d(8) complexes whose electronic excited states can drive reductions and oxidations of relatively inert substrates. We performed spin-orbit (SO) TDDFT calculations on these complexes that account for their absorption spectra across the entire UV-vis spectral region. The complexes ex...
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ژورنال
عنوان ژورنال: Inorganic Chemistry
سال: 2015
ISSN: 0020-1669,1520-510X
DOI: 10.1021/acs.inorgchem.5b00063