Details
| Original language | English |
|---|---|
| Pages (from-to) | 49-54 |
| Number of pages | 6 |
| Journal | Journal of molecular spectroscopy |
| Volume | 351 |
| Early online date | 21 Jul 2018 |
| Publication status | Published - Sept 2018 |
Abstract
Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the methyl methacrylate dimer were retrieved from the microwave spectrum of the dimer phase of methyl methacrylate, which was subjected to a thermal self-polymerization process. The dimer contains three methyl rotors. Coupling of the methyl internal rotation to the overall rotation causes a complicated splitting of the rotational spectrum. The fact that only the two methoxymethyl groups contributed resolvable (>5kHz) splittings simplified the spectral assignment somewhat and a fit of spectroscopic parameters to the experimental data was achieved to within experimental accuracy. The methyl methacrylate self-polymerization system is intended as an easily accessible model system for polymerization and the analysis of the dimer presented in this study contributes to the stepwise understanding by means of microwave spectroscopy and ab initio methods.
Keywords
- Dimer, Fourier transform microwave spectroscopy, Large amplitude motion, Methyl methacrylate, Rotational spectrum, Thermal self polymerization
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. 49-54.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Thermal self polymerization investigated by microwave molecular spectroscopy
T2 - Rotational characterization of the methyl methacrylate dimer
AU - Herbers, Sven
AU - Obenchain, Daniel A.
AU - Lengsfeld, Kevin G.
AU - Kuper, Henning
AU - Becker, Jörg A.
AU - Grabow, Jens Uwe
N1 - Funding Information: We want to acknowledge the financial support of the Land Niedersachsen , the Deutsche Forschungsgemeinschaft (DFG), the Alexander von Humboldt Foundation and the support of the technical shops of the Institut für Physikalische Chemie and of the cluster system team at the Leibniz University IT services (LUIS) of Hannover, Germany in the course of this work. Publisher Copyright: © 2018 Elsevier Inc. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.
PY - 2018/9
Y1 - 2018/9
N2 - Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the methyl methacrylate dimer were retrieved from the microwave spectrum of the dimer phase of methyl methacrylate, which was subjected to a thermal self-polymerization process. The dimer contains three methyl rotors. Coupling of the methyl internal rotation to the overall rotation causes a complicated splitting of the rotational spectrum. The fact that only the two methoxymethyl groups contributed resolvable (>5kHz) splittings simplified the spectral assignment somewhat and a fit of spectroscopic parameters to the experimental data was achieved to within experimental accuracy. The methyl methacrylate self-polymerization system is intended as an easily accessible model system for polymerization and the analysis of the dimer presented in this study contributes to the stepwise understanding by means of microwave spectroscopy and ab initio methods.
AB - Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the methyl methacrylate dimer were retrieved from the microwave spectrum of the dimer phase of methyl methacrylate, which was subjected to a thermal self-polymerization process. The dimer contains three methyl rotors. Coupling of the methyl internal rotation to the overall rotation causes a complicated splitting of the rotational spectrum. The fact that only the two methoxymethyl groups contributed resolvable (>5kHz) splittings simplified the spectral assignment somewhat and a fit of spectroscopic parameters to the experimental data was achieved to within experimental accuracy. The methyl methacrylate self-polymerization system is intended as an easily accessible model system for polymerization and the analysis of the dimer presented in this study contributes to the stepwise understanding by means of microwave spectroscopy and ab initio methods.
KW - Dimer
KW - Fourier transform microwave spectroscopy
KW - Large amplitude motion
KW - Methyl methacrylate
KW - Rotational spectrum
KW - Thermal self polymerization
UR - http://www.scopus.com/inward/record.url?scp=85050510758&partnerID=8YFLogxK
U2 - 10.1016/j.jms.2018.07.007
DO - 10.1016/j.jms.2018.07.007
M3 - Article
AN - SCOPUS:85050510758
VL - 351
SP - 49
EP - 54
JO - Journal of molecular spectroscopy
JF - Journal of molecular spectroscopy
SN - 0022-2852
ER -