Other
Scientific paper
Jun 2009
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confeta05s&link_type=abstract
"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec
Other
Microwave
Scientific paper
Strawberry aldehyde (C_{12} O_3 H_{14}), a common artificial flavoring compound, has two non-interconvertible conformational families defined by the relative stereochemistry around its epoxide carbons. In one family, referred to as the trans because the two large substituents (a phenyl ring and an ethyl ester) are on opposite sides of the epoxide ring, these two substituents are unable to interact with each other. However, in the cis family, there is a long-range interaction that is difficult to accurately capture in electronic structure calculations. Three trans and two cis conformations have been assigned by broadband chirped pulse Fourier transform microwave spectroscopy, along with the C-13 isotopomers in natural abundance for one conformer from each of the families. The agreement of the rotational constants, relative dipole moments, and relative energies between theory and experiment is excellent, even at relatively crude levels of theory, for the trans family, but is quite poor for the cis conformers. In addition, due to the reactivity of strawberry aldehyde and the high temperature to which it must be heated to yield a suitable vapor pressure, several decomposition products have been assigned, and more, as of yet unassigned, are likely to be present. This project demonstrates some of the challenges in performing large-molecule rotational spectroscopy.
Muckle Matt T.
Neill Justin L.
Pate Brooks H.
Shipman Steven T.
Suenram Richard D.
No associations
LandOfFree
Chirped Pulse-Fourier Transform Microwave Spectroscopy of Ethyl 3-METHYL-3-PHENYLGLYCIDATE (strawberry Aldehyde) does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Chirped Pulse-Fourier Transform Microwave Spectroscopy of Ethyl 3-METHYL-3-PHENYLGLYCIDATE (strawberry Aldehyde), we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Chirped Pulse-Fourier Transform Microwave Spectroscopy of Ethyl 3-METHYL-3-PHENYLGLYCIDATE (strawberry Aldehyde) will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-1642099