Details
| Original language | English |
|---|---|
| Pages (from-to) | 96-101 |
| Number of pages | 6 |
| Journal | Journal of molecular spectroscopy |
| Volume | 343 |
| Early online date | 26 Oct 2017 |
| Publication status | Published - Jan 2018 |
Abstract
Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.
Keywords
- Fourier transform microwave spectroscopy, Large amplitude motion, Methyl methacrylate, 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. 343, 01.2018, p. 96-101.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Rotational characterization of methyl methacrylate
T2 - Internal dynamics and structure determination
AU - Herbers, Sven
AU - Wachsmuth, Dennis
AU - Obenchain, Daniel A.
AU - Grabow, Jens Uwe
N1 - Publisher Copyright: © 2017 Elsevier Inc. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.
PY - 2018/1
Y1 - 2018/1
N2 - Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.
AB - Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.
KW - Fourier transform microwave spectroscopy
KW - Large amplitude motion
KW - Methyl methacrylate
KW - Rotational spectrum
UR - http://www.scopus.com/inward/record.url?scp=85034447037&partnerID=8YFLogxK
U2 - 10.1016/j.jms.2017.10.006
DO - 10.1016/j.jms.2017.10.006
M3 - Article
AN - SCOPUS:85034447037
VL - 343
SP - 96
EP - 101
JO - Journal of molecular spectroscopy
JF - Journal of molecular spectroscopy
SN - 0022-2852
ER -