Microwave spectrum of 2-methyltetrahydrofuran
Publication type: Journal Article
Publication date: 2017-10-01
scimago Q4
wos Q4
SJR: 0.204
CiteScore: 1.2
Impact factor: 0.8
ISSN: 00360244, 1531863X
Physical and Theoretical Chemistry
Abstract
The microwave spectrum of 2-methyltetrahydrofuran in the ground vibrational state is studied. Rotational transitions belonging to one conformer of the molecule are found; no lines belonging to other conformers are detected in the spectrum. Such spectroscopic parameters of a molecule as rotational and quartic centrifugal distortion constants are determined using a set of identified rotational transitions in the quasirigid rotor approximation. Components of the dipole moment of a molecule in the principal axes system are determined from the Stark effect for four rotational transitions. Stable conformations of the molecule are sought by means of B3PW91 and B3LYP with aug-cc-pVXZ (X = D, T, Q) basis sets. A possible stable conformation of the molecule is discussed.
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Faizullin M. G., Galeev R. V., Mamleev A. Kh. Microwave spectrum of 2-methyltetrahydrofuran // Russian Journal of Physical Chemistry A. 2017. Vol. 91. No. 11. pp. 2275-2278.
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Faizullin M. G., Galeev R. V., Mamleev A. Kh. Microwave spectrum of 2-methyltetrahydrofuran // Russian Journal of Physical Chemistry A. 2017. Vol. 91. No. 11. pp. 2275-2278.
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TY - JOUR
DO - 10.1134/s0036024417110061
UR - https://doi.org/10.1134/s0036024417110061
TI - Microwave spectrum of 2-methyltetrahydrofuran
T2 - Russian Journal of Physical Chemistry A
AU - Faizullin, M G
AU - Galeev, R V
AU - Mamleev, A Kh
PY - 2017
DA - 2017/10/01
PB - Pleiades Publishing
SP - 2275-2278
IS - 11
VL - 91
SN - 0036-0244
SN - 1531-863X
ER -
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BibTex (up to 50 authors)
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@article{2017_Faizullin,
author = {M G Faizullin and R V Galeev and A Kh Mamleev},
title = {Microwave spectrum of 2-methyltetrahydrofuran},
journal = {Russian Journal of Physical Chemistry A},
year = {2017},
volume = {91},
publisher = {Pleiades Publishing},
month = {oct},
url = {https://doi.org/10.1134/s0036024417110061},
number = {11},
pages = {2275--2278},
doi = {10.1134/s0036024417110061}
}
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MLA
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Faizullin, M. G., et al. “Microwave spectrum of 2-methyltetrahydrofuran.” Russian Journal of Physical Chemistry A, vol. 91, no. 11, Oct. 2017, pp. 2275-2278. https://doi.org/10.1134/s0036024417110061.
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