Effects of electronic and nuclear interactions on the excited-state properties and structural dynamics of copper(I) diimine complexes

Journal of Physical Chemistry B

Volumn 117, Issue 6, 2013, Pages 1921-1931

  Mara, Michael W ^a,b   Jackson, Nicholas E ^a,b   Huang, Jier ^b   Stickrath, Andrew B ^b   Zhang, Xiaoyi ^c   Gothard, Nosheen A ^a   Ratner, Mark A ^a   Chen, Lin X ^a,b  

^a NORTHWESTERN UNIVERSITY   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; CHARGE TRANSFER; COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRIC GENERATORS; ELECTRIC PROPERTIES; EXCITED STATES; JAHN-TELLER EFFECT; STRUCTURAL DYNAMICS; TOLUENE;

CU COMPLEXES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIIMINE COMPLEXES; DYE SENSITIZERS; EXCITED-STATE PROPERTIES; METAL-TO-LIGAND CHARGE TRANSFER; MLCT EXCITED STATE; NUCLEAR INTERACTION; PHENANTHROLINES; PHENYL GROUP; PHENYL RINGS; SOLAR ELECTRICITY; SOLVENT MOLECULES; STRUCTURAL CONSTRAINTS; TETRAHEDRAL COORDINATION GEOMETRY; X-RAY TRANSIENTS;

LIGANDS;

EID: 84873913830     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp311643t     Document Type: Article

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