Microwave spectrum of 2-methyltetrahydrofuran
- Autores: Faizullin M.G.1, Galeev R.V.1, Mamleev A.K.1
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Afiliações:
- Institute of Molecule and Crystal Physics
- Edição: Volume 91, Nº 11 (2017)
- Páginas: 2275-2278
- Seção: Short Communications
- URL: https://bakhtiniada.ru/0036-0244/article/view/169783
- DOI: https://doi.org/10.1134/S0036024417110061
- ID: 169783
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Resumo
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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Sobre autores
M. Faizullin
Institute of Molecule and Crystal Physics
Autor responsável pela correspondência
Email: fayzullinmg@yandex.ru
Rússia, Ufa, 450075
R. Galeev
Institute of Molecule and Crystal Physics
Email: fayzullinmg@yandex.ru
Rússia, Ufa, 450075
A. Mamleev
Institute of Molecule and Crystal Physics
Email: fayzullinmg@yandex.ru
Rússia, Ufa, 450075
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