Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones

Emmie Chiyindiko; Ernst H G Langner; Jeanet Conradie

doi:10.3390/molecules27186033

Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones

Molecules. 2022 Sep 16;27(18):6033. doi: 10.3390/molecules27186033.

Authors

Emmie Chiyindiko¹, Ernst H G Langner¹, Jeanet Conradie^{1

2}

Affiliations

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.

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).

Keywords: 2-hydroxybenzophenone; TDDFT; copper(II); dye-sensitized solar cells (DSSCs).

MeSH terms

Coloring Agents / chemistry
Copper
Ligands
Models, Molecular
Solar Energy*
Spectrophotometry, Ultraviolet

Substances

Coloring Agents
Ligands
Copper

Abstract

MeSH terms

Substances

Grants and funding