Genre
- Journal Article
Contributors
Author: Kamel, M.A.
Author: El-Nahass, M.M.
Author: Wagner, B.D.
Author: Ibrahim, M.
Author: M.A.M., El-Mansy
Author: El-Barbary, A.A.
Date Issued
2013
Abstract
Highlights: [•] B3LYP as well as FTIR were utilized to analyze thioindigo dye. [•] Vibrational assignments for thioindigo isomers were aided at B3LYP/6-311G(d,p). [•] Cis-isomer is a promising structure for optoelectronic devices as solar cells. [•] Cis-isomer has a high dipole moment (3.44 Debye) and HOMO/LUMO energy gap (3.02 eV).
Language
- English
Page range
332-336
Host Title
Spectrochimica Acta: Part A: Molecular & Biomolecular Spectroscopy
Volume
113
ISSN
1386-1425