Back to Search
Start Over
High‐Impact Sulfur Compounds: Constitutional and Configurational Assignment of Sulfur‐Containing Heterocycles
- Source :
- Chemistry & Biodiversity. 5:1204-1212
- Publication Year :
- 2008
- Publisher :
- Wiley, 2008.
-
Abstract
- To unambiguously identify their structures and to evaluate their organoleptic properties, several constitutional und configurational isomers of dialkyl-tetrathianes and dialkyl-pentathiepanes were synthesized by two different synthetic protocols, and separated by preparative gas chromatography. Raman and NMR spectroscopy were used to differentiate between the constitutional 3,6-dialkyl-1,2,4,5-tetrathiane and the 4,6-dialkyl-1,2,3,5-tetrathiane isomers. Furthermore, cis- and trans-isomers of 3,6-dialkyl-1,2,4,5-tetrathianes were distinguished by temperature-dependent NMR experiments. Static, quantum-chemical simulations of the NMR spectra for these cis- and trans-isomers were calculated in the gas layer in order to confirm our experimental assignments. In addition, the assignment of 4,7-alkyl-1,2,3,5,6-pentathiepanes were deducted from their Raman spectra. Dialkyl-tetrathianes and dialkyl-pentathiepanes are interesting components to be used in flavor applications due to their unique olfactory impact and facets.
- Subjects :
- Magnetic Resonance Spectroscopy
chemistry.chemical_element
Bioengineering
Stereoisomerism
Spectrum Analysis, Raman
Biochemistry
symbols.namesake
Heterocyclic Compounds
Computational chemistry
Humans
Organic chemistry
Molecular Biology
Flavor
Molecular Structure
Sulfur Compounds
Chemistry
General Chemistry
General Medicine
Nuclear magnetic resonance spectroscopy
Sulfur containing
Sulfur
NMR spectra database
Taste
symbols
Molecular Medicine
Food Additives
Gas chromatography
Raman spectroscopy
Subjects
Details
- ISSN :
- 16121880 and 16121872
- Volume :
- 5
- Database :
- OpenAIRE
- Journal :
- Chemistry & Biodiversity
- Accession number :
- edsair.doi.dedup.....8c8b01be3b8e5fb5da5e3fea1e1a0e99
- Full Text :
- https://doi.org/10.1002/cbdv.200890097