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Structure determination of trans-cinnamaldehyde by broadband microwave spectroscopy.
- Source :
-
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2015 Jun 28; Vol. 17 (24), pp. 16080-5. Date of Electronic Publication: 2015 Jun 01. - Publication Year :
- 2015
-
Abstract
- The rotational spectrum of trans-cinnamaldehyde ((E)-3-phenyl-2-propenal, C9H8O) was recorded by chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2-8.5 GHz. The odourant molecule is the essential component of cinnamon oil and causes the characteristic smell. The rotational signatures of two conformers were observed: s-trans-trans- and s-cis-trans-cinnamaldehyde. The rotational spectra of s-trans-trans-cinnamaldehyde and all of its (13)C-monosubstituted species in natural abundance were assigned and the corresponding carbon backbone structure was determined. The second conformer s-cis-trans-cinnamaldehyde is about 9 kJ mol(-1) higher in energy and could also be identified in the spectrum.
Details
- Language :
- English
- ISSN :
- 1463-9084
- Volume :
- 17
- Issue :
- 24
- Database :
- MEDLINE
- Journal :
- Physical chemistry chemical physics : PCCP
- Publication Type :
- Academic Journal
- Accession number :
- 26030313
- Full Text :
- https://doi.org/10.1039/c5cp02582f