Photophysical properties of copper(I) complexes containing pyrazine-fused phenanthroline ligands: a joint experimental and theoretical investigation
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| 001 | 605511640 | ||
| 003 | CHVBK | ||
| 005 | 20210128100652.0 | ||
| 007 | cr unu---uuuuu | ||
| 008 | 210128e20151201xx s 000 0 eng | ||
| 024 | 7 | 0 | |a 10.1007/s00894-015-2857-0 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2857-0 | ||
| 245 | 0 | 0 | |a Photophysical properties of copper(I) complexes containing pyrazine-fused phenanthroline ligands: a joint experimental and theoretical investigation |h [Elektronische Daten] |c [Shengxian Xu, Jinglan Wang, Feng Zhao, Hongying Xia, Yibo Wang] |
| 520 | 3 | |a Two copper(I) complexes [Cu(Pyz-Phen)2]PF6 (1) and [Cu(POP)(Pyz-Phen)]PF6 (2) (Pyz-Phen = pyrazino[2,3-f] [1, 10]phenanthroline, POP = bis[2-diphenylphosphino]-phenyl]ether) have been synthesized and characterized. The photophysical properties of these complexes in solution have been studied. The electronic absorption spectrum of complexes 1 exhibit the lowest-lying MLCT absorption band at 459nm and high-energy ligand-based transitions at 275nm, while that of complex 2 exhibits the MLCT/LLCT band at 400nm and ligand π-π* band at 262nm. In addition, both 1 and 2 show similar phosphorescence 3MLCT/3LLCT emissions with maximum emission wavelengths of 569 and 572nm, respectively. Density functional theory (DFT) and time-dependent density functional theory (TDDFT) were employed to rationalize the photophysical properties of the complexes studied. The theoretical data confirm the assignment of the experimental absorption spectra and the nature of the emitting states. Graphical Abstract Photophysical properties of copper(I) complexes containing pyrazine-fused phenanthroline ligands | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Copper(I) complex |2 nationallicence | |
| 690 | 7 | |a Density functional theory |2 nationallicence | |
| 690 | 7 | |a Emission |2 nationallicence | |
| 690 | 7 | |a Photophysical |2 nationallicence | |
| 690 | 7 | |a Pyrazino[2,3-f] [1, 10] phenanthroline |2 nationallicence | |
| 700 | 1 | |a Xu |D Shengxian |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | |
| 700 | 1 | |a Wang |D Jinglan |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | |
| 700 | 1 | |a Zhao |D Feng |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | |
| 700 | 1 | |a Xia |D Hongying |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | |
| 700 | 1 | |a Wang |D Yibo |u Key Laboratory of Guizhou High Performance Computational Chemistry, Department of Chemistry, Guizhou University, 550025, Guiyang, People's Republic of China |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/12(2015-12-01), 1-10 |x 1610-2940 |q 21:12<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2857-0 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2857-0 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Xu |D Shengxian |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Wang |D Jinglan |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Zhao |D Feng |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Xia |D Hongying |u School of Chemistry and Chemical Engineering, Jiangxi Science and Technology Normal University, Fenglin Street Nanchang, 330013, Jiangxi, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Wang |D Yibo |u Key Laboratory of Guizhou High Performance Computational Chemistry, Department of Chemistry, Guizhou University, 550025, Guiyang, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/12(2015-12-01), 1-10 |x 1610-2940 |q 21:12<1 |1 2015 |2 21 |o 894 | ||