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Syntheses, Crystal Structures and Solid-State Absorption Spectra of n-Propylsulfanyl- and Isopropylsulfanyl-Substituted 2,5-Di(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione Derivatives with Methoxycarbonyl Groups
- Source :
- Bulletin of the Chemical Society of Japan. 90:306-311
- Publication Year :
- 2017
- Publisher :
- The Chemical Society of Japan, 2017.
-
Abstract
- N-propylsulfanyl and isopropylsulfanyl substituted 2,5-di(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione derivatives with methoxycarbonyl groups were synthesized, and their redox and electronic properties and crystal structures were investigated. Solid-state absorption spectra showed that both derivatives absorb almost all visible light. Furthermore isopropylsulfanyl-substituted derivatives absorb near-infrared light and the absorption edge reaches around 1320 nm. The crystal structures show that both derivatives are stacked in one dimension to form a columnar structure, but the molecular arrangements of their columns were quite different from each other. The stacked n-propylsulfanyl derivatives kept their orientation of thiocarbonyl groups in the same direction and the one molecule of the isopropylsulfanyl derivatives were rotated in relation to each other by an angle of 56° about their longer molecular axis. The TD-DFT calculation of stacked molecules suggests that the molecular arrangement among the st...
- Subjects :
- Absorption spectroscopy
Dithiol
02 engineering and technology
General Chemistry
Crystal structure
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Redox
0104 chemical sciences
Dithiolane
chemistry.chemical_compound
Crystallography
chemistry
Absorption edge
Molecule
0210 nano-technology
Visible spectrum
Subjects
Details
- ISSN :
- 13480634 and 00092673
- Volume :
- 90
- Database :
- OpenAIRE
- Journal :
- Bulletin of the Chemical Society of Japan
- Accession number :
- edsair.doi...........0df37af36223a5849bd4985aa28f6972