Mechanism for the light-induced O2 evolution from H2O promoted by Ru(II) PNN complex: A DFT study

Journal of Physical Chemistry A

Volumn 114, Issue 37, 2010, Pages 10334-10338

  Chen, Yue ^a   Fang, Wei Hai ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY METHODS; DFT STUDY; HYDROGEN TRANSFER; INTERSYSTEM CROSSING; NEW MECHANISMS; NON-ADIABATIC PROCESS; RU COMPLEXES;

BIOLOGY; HYDROGEN; RUTHENIUM ALLOYS;

DENSITY FUNCTIONAL THEORY;

ORGANOMETALLIC COMPOUND; OXYGEN; RUTHENIUM; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; LIGHT; MOLECULAR DYNAMICS;

LIGHT; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; OXYGEN; RUTHENIUM; WATER;

EID: 77956742142     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1065105     Document Type: Article

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