CP-FTMW spectroscopy of a claisen rearrangement precursor allyl phenyl ether
Grubbs, G.S., II
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https://hdl.handle.net/2142/91284
Description
Title
CP-FTMW spectroscopy of a claisen rearrangement precursor allyl phenyl ether
Author(s)
Grubbs, G.S., II
Contributor(s)
Novick, Stewart E.
Cooke, S. A.
Obenchain, Daniel A.
Frank, Derek S.
Issue Date
2016-06-20
Keyword(s)
Structure determination
Abstract
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The pure rotational spectrum of a Claisen rearrangement precursor, allyl
phenyl ether (APE), has been measured on a chirped pulse Fourier transform microwave (CP-FTMW) spectrometer in the 8-14 GHz region. Rotational and centrifugal distortion constants for multiple conformations have been determined for the first time and will be discussed. This is the first study of a phenyl-containing ether where multiple conformers were experimentally observed all within their ground vibrational states. Quantum chemical calculations have been performed to isolate low energy geometries of APE and are implemented to aid in spectral assignment. Other structural parameters such as planar moments and inertial defects for the APE conformers are presented and compared to similar molecules for discussion.
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