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2,3,4,5-Tetraphenylbiphenyl-Containing CuI/ReI Complexes: Synthesis, Property Analysis and Theoretical Studies
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SYSNO ASEP 0385618 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title 2,3,4,5-Tetraphenylbiphenyl-Containing CuI/ReI Complexes: Synthesis, Property Analysis and Theoretical Studies Author(s) Xiang, Q. (CN)
Sun, X. (CN)
Zhu, G. (CN)
Sun, H. (CN)
Wan, Y. (CN)
Si, Zhenjun (UOCHB-X)
Duan, Q. (CN)Number of authors 7 Source Title European Journal of Inorganic Chemistry. - : Wiley - ISSN 1434-1948
-, č. 25 (2012), s. 4012-4019Number of pages 8 s. Language eng - English Country DE - Germany Keywords copper ; rhenium ; materials science ; photophysics ; synthesis design Subject RIV CC - Organic Chemistry CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000307950500009 DOI 10.1002/ejic.201200276 Annotation The diimine compound 1-[(2',3',4',5'-tetraphenylbiphenyl-4-yl)methyl]-2-(pyridin-2-yl)-1H-benzo[d]imidazole (Ph6PyMz) has been designed and synthesized in order to prepare [Cu(Ph6PyMz)(DPEphos)]BF4 {DPEphos = bis[2-(diphenylphosphanyl)phenyl] ether} and [RePh6PyMz(CO)3Br]. The molecular structures of [Cu(Ph6PyMz)(DPEphos)]BF4 and [RePh6PyMz(CO)3Br] were determined by single-crystal X-ray diffraction and IR spectroscopy, and their properties were systematically studied by thermal-stability analyses, photophysical analyses, and electrochemistry. It was found that [Cu(Ph6PyMz)(DPEphos)]BF4 and [RePh6PyMz(CO)3Br] mainly give triplet-ligand-to-ligand charge-transfer transition emission in CH2Cl2 solution and pure triplet-metal-to-ligand charge-transfer transition emission in the solid state. The different photophysical behaviors of [Cu(Ph6PyMz)(DPEphos)]BF4 and [RePh6PyMz(CO)3Br] in different states has been attributed to solvent effects and their higher freedom in CH2Cl2 solution. The energy levels of the highest-occupied and lowest-unoccupied molecular orbitals were measured to be 5.76 and 3.11 eV for [Cu(Ph6PyMz)(DPEphos)]BF4 and 5.69 and 3.42 eV for [RePh6PyMz(CO)3Br], respectively. Finally, the ground-state geometrical structures and the UV/Vis absorption spectra in CH2Cl2 solution were theoretically simulated for [Cu(Ph6PyMz)(DPEphos)]BF4 and [RePh6PyMz(CO)3Br]. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2013
Number of the records: 1