Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones |
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| Authors: | Emmie Chiyindiko Ernst H. G. Langner Jeanet Conradie |
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| Affiliation: | 1.Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein 9300, South Africa;2.Department of Chemistry, UiT—The Arctic University of Norway, N-9037 Tromsø, Norway |
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| Abstract: | Theoretical investigations by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods shed light on how the type of ligand or attached groups influence the electronic structure, absorption spectrum, electron excitation, and intramolecular and interfacial electron transfer of the Cu(II) complexes under study. The findings provide new insight into the designing and screening of high-performance dyes for dye-sensitized solar cells (DSSCs). |
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| Keywords: | 2-hydroxybenzophenone copper(II) TDDFT dye-sensitized solar cells (DSSCs) |
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