Details
| Original language | English |
|---|---|
| Pages (from-to) | 8-13 |
| Number of pages | 6 |
| Journal | Journal of molecular spectroscopy |
| Volume | 351 |
| Early online date | 5 Jul 2018 |
| Publication status | Published - Sept 2018 |
Abstract
The rotational spectrum of trans-benzanilide C13H11NO is reported for the most part of the cm-wave range (3–19 GHz). Heavy atom frame conversion between the two possible enantiomers surprisingly leads to significant tunnelling splittings in the observed spectrum. The large amplitude motion parameters for the occurring tunnelling as well as the nuclear quadrupole coupling constants for the 14N were determined in addition to the rotational constants and quartic centrifugal distortion coefficients. Contrary to other trans-anilides, calculations indicate the existence of a non planar amide group in trans-benzanilide.
Keywords
- Amide bond, Benzanilide, Chirality, Fourier transform microwave spectroscopy, Large amplitude motion, Rotational spectrum
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Atomic and Molecular Physics, and Optics
- Chemistry(all)
- Spectroscopy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Journal of molecular spectroscopy, Vol. 351, 09.2018, p. 8-13.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Transient chirality of anilides
T2 - The rotational spectrum of trans-benzanilide
AU - Herbers, Sven
AU - Wachsmuth, Dennis
AU - Jahn, Michaela Katharina
AU - Grabow, Jens Uwe
N1 - Funding Information: We want to acknowledge the financial support of the Land Niedersachsen , the Deutsche Forschungsgemeinschaft (DFG) and the support of the cluster system team at the Leibniz University of Hannover, Germany in the production of this work. Publisher Copyright: © 2018 Elsevier Inc. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.
PY - 2018/9
Y1 - 2018/9
N2 - The rotational spectrum of trans-benzanilide C13H11NO is reported for the most part of the cm-wave range (3–19 GHz). Heavy atom frame conversion between the two possible enantiomers surprisingly leads to significant tunnelling splittings in the observed spectrum. The large amplitude motion parameters for the occurring tunnelling as well as the nuclear quadrupole coupling constants for the 14N were determined in addition to the rotational constants and quartic centrifugal distortion coefficients. Contrary to other trans-anilides, calculations indicate the existence of a non planar amide group in trans-benzanilide.
AB - The rotational spectrum of trans-benzanilide C13H11NO is reported for the most part of the cm-wave range (3–19 GHz). Heavy atom frame conversion between the two possible enantiomers surprisingly leads to significant tunnelling splittings in the observed spectrum. The large amplitude motion parameters for the occurring tunnelling as well as the nuclear quadrupole coupling constants for the 14N were determined in addition to the rotational constants and quartic centrifugal distortion coefficients. Contrary to other trans-anilides, calculations indicate the existence of a non planar amide group in trans-benzanilide.
KW - Amide bond
KW - Benzanilide
KW - Chirality
KW - Fourier transform microwave spectroscopy
KW - Large amplitude motion
KW - Rotational spectrum
UR - http://www.scopus.com/inward/record.url?scp=85049567488&partnerID=8YFLogxK
U2 - 10.1016/j.jms.2018.07.003
DO - 10.1016/j.jms.2018.07.003
M3 - Article
AN - SCOPUS:85049567488
VL - 351
SP - 8
EP - 13
JO - Journal of molecular spectroscopy
JF - Journal of molecular spectroscopy
SN - 0022-2852
ER -