Title of article
Rhenium(I) carbonyl complex of 4,7-diphenyl-1,10-phenanthroline–Spectroscopic properties, X-Ray structure, theoretical studies of ground and excited electronic states
Author/Authors
B. Machura، نويسنده , , M. Wolff، نويسنده , , Malgorzata M. Jaworska، نويسنده , , P. Lodowski، نويسنده , , E. Benoist، نويسنده , , C. Carrayon، نويسنده , , N. Saffon، نويسنده , , R. Kruszynski، نويسنده , , Z. Mazurak، نويسنده ,
Issue Information
دوفصلنامه با شماره پیاپی سال 2011
Pages
8
From page
3068
To page
3075
Abstract
The paper presents structural studies of the tricarbonyl complexes incorporating 4,7-diphenyl-1,10-phenanthroline (dpphen) - [Re(CO)3(dpphen)Cl]2·Me2CO (1) and [Re(CO)3(dpphen)Cl] (2). The absorption and emission spectra of [Re(CO)3(dpphen)Cl] were discussed with the aid of DFT and time-dependent TD-DFT theories. The theoretical studies reveal mixing between the singlet (S1) and triplet (T1) excited states of MLCT character.
Keywords
Rhenium(I) carbonyls , Absorption and emission spectra , Phen-like ligands , DFT and TD-DFT calculations
Journal title
Journal of Organometallic Chemistry
Serial Year
2011
Journal title
Journal of Organometallic Chemistry
Record number
1373162
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