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Structure Determination of Trans-Cinnamaldehyde by Broadband Microwave Spectroscopy

Sabrina Zinn, Thomas Betz, Chris Medcraft, Melanie Schnell

Phys Chem Chem Phys. 2015 Jun 28;17(24):16080-5.

PMID: 26030313

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.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP14371109 trans-Cinnamaldehyde trans-Cinnamaldehyde 14371-10-9 Price
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