About: 2,3,4,5-Tetraphenylbiphenyl-Containing CuI/ReI Complexes: Synthesis, Property Analysis and Theoretical Studies     Goto   Sponge   NotDistinct   Permalink

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  • 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].
  • 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]. (en)
Title
  • 2,3,4,5-Tetraphenylbiphenyl-Containing CuI/ReI Complexes: Synthesis, Property Analysis and Theoretical Studies
  • 2,3,4,5-Tetraphenylbiphenyl-Containing CuI/ReI Complexes: Synthesis, Property Analysis and Theoretical Studies (en)
skos:prefLabel
  • 2,3,4,5-Tetraphenylbiphenyl-Containing CuI/ReI Complexes: Synthesis, Property Analysis and Theoretical Studies
  • 2,3,4,5-Tetraphenylbiphenyl-Containing CuI/ReI Complexes: Synthesis, Property Analysis and Theoretical Studies (en)
skos:notation
  • RIV/61388963:_____/12:00385618!RIV13-AV0-61388963
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 25
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
  • Si, Zhenjun
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 183373
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/12:00385618
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • copper; rhenium; materials science; photophysics; synthesis design (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV
  • [C0D0F6FC27F3]
http://linked.open...i/riv/nazevZdroje
  • European Journal of Inorganic Chemistry
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Sun, H.
  • Sun, X.
  • Duan, Q.
  • Si, Zhenjun
  • Wan, Y.
  • Xiang, Q.
  • Zhu, G.
http://linked.open...ain/vavai/riv/wos
  • 000307950500009
http://linked.open...n/vavai/riv/zamer
issn
  • 1434-1948
number of pages
http://bibframe.org/vocab/doi
  • 10.1002/ejic.201200276
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