Theoretical studies on the stability of molecular platinum catalysts for hydrogen production.
نویسندگان
چکیده
We have performed DFT and TD-DFT calculations on Pt(dcbpy)Cl(2) () and [Pt(ttpy)phenylacetylide](+) ((+)) to study the stability of these Pt(II) species upon reduction and photoexcitation; we found that while these compounds are stable upon reduction, photoexcitation of the reduced species leads to dissociation of the ligand set.
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ورودعنوان ژورنال:
- Dalton transactions
دوره 34 شماره
صفحات -
تاریخ انتشار 2009