Journal
ELECTROANALYSIS
Volume 32, Issue 12, Pages 2659-2668Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/elan.202060163
Keywords
2-Hydroxybenzophenone; reduction; DFT; UV; vis; HOMO; LUMO
Categories
Funding
- University of the Free State in South Africa [109673, 113327, 96111]
- National Research Foundation (NRF) in South Africa [109673, 113327, 96111]
- Norwegian Supercomputing Program (UNINETT Sigma2) [NN9684K]
Ask authors/readers for more resources
The experimental UV and CV of five substituted 2-hydroxybenzophenones in solvents acetonitrile, n-dimethylformamide and dimethylsulfoxide are presented. Results obtained were used to determine their experimental highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and the results were compared to their theoretical model. The derivatives with an electron withdrawing group (EWG) have more favourable reduction potential, electron affinity, lower dipole moment, lower LUMO and HOMO energy levels and longer absorption lambda(max)compared to those containing an electron donating group. Acetonitrile enhances the reduction potential especially for those of derivatives with EWG, leading to higher reduction potential compared to solvents DMF and DMSO.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available