A theoretical investigation of the photo-induced intramolecular charge transfer excitation of cuprous (I) bis-phenanthroline by density functional theory

Journal of Organometallic Chemistry

Volumn 690, Issue 1, 2005, Pages 187-192

  Wang, Xiaojing ^a   Lv, Chen ^a   Koyama, Michihisa ^a   Kubo, Momoji ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Cuprous bis phenanthroline; Density functional theory; Excited state; MLCT excitation; Structural distortion

Indexed keywords

ELECTRONIC TRANSFER EXCITATION; EXCITED STATES; NON-RADIATIVE DECAY; PHOTO-INDUCED INTERMOLECULAR CHARGE TRANSFER;

CHARGE TRANSFER; COMPLEXATION; ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; ORGANOMETALLICS;

COPPER COMPOUNDS;

COPPER DERIVATIVE; LIGAND; PHENANTHROLINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; EXCITATION; GEOMETRY; LIGHT; MOLECULE; OSCILLATOR; REACTION TIME; THEORETICAL MODEL; THEORETICAL STUDY;

EID: 11144315006     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2004.09.013     Document Type: Article

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