Electronic structures and spectroscopic properties of nitrido-osmium(VI) complexes with acetylide ligands [OsN (C≡CR)4]-R=H, C H3, and Ph by density functional theory calculation

Journal of Chemical Physics

Volumn 124, Issue 14, 2006, Pages

  Zhang, Yu Hua ^a   Xia, Bao Hui ^a   Pan, Qing Jiang ^a   Zhang, Hong Xing ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ENERGY ABSORPTION; GROUND STATE; OSMIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS;

ACETYLIDE LIGANDS; EXCITED STATE; NITRIDO-OSMIUM(VI) COMPLEXES;

HYDROCARBONS;

EID: 34547854004     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2189220     Document Type: Article

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