title: Structure determination of trans-cinnamaldehyde by broadband microwave spectroscopy.
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.
authors.affiliation: Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, D-22761 Hamburg, Germany. melanie.schnell@mpsd.mpg.de.
authors.forename: Sabrina
authors.initials: S
authors.lastname: Zinn
authors.forename: Thomas
authors.initials: T
authors.lastname: Betz
authors.forename: Chris
authors.initials: C
authors.lastname: Medcraft
authors.forename: Melanie
authors.initials: M
authors.lastname: Schnell
mesh_terms: D000171:Acrolein / Q000031:analogs & derivatives* / Q000737:chemistry; D008872:Microwaves; D015394:Molecular Structure; D011789:Quantum Theory; D013057:Spectrum Analysis; D013237:Stereoisomerism
chemical_list: D000171:Acrolein; C012843:cinnamaldehyde