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Theoretical studies on the stability of molecular platinum catalysts for hydrogen production

Lindsay E., Roy; Scalmani, Giovanni; Kobayashi, Rika; Batista, E.R.


We have performed DFT and TD-DFT calculations on Pt(dcbpy)Cl2 (1) and [Pt(ttpy)phenylacetylide]+ (2+) 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.

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
Source: Dalton Transactions
DOI: 10.1039/b911019b


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