Structure and spectra of 1,3-dioxanes. II. Microwave spectrum, structural parameters, and ab initio calculations of 2-methyl-1,3-dioxane
A Kh Mamleev
1
,
L N Gunderova
1
,
R V Galeev
1
,
A A Shapkin
1
,
M G Faizullin
1
,
A P Nikitina
2
,
D V Shornikov
2
,
E A Kantor
2
Publication type: Journal Article
Publication date: 2007-11-01
scimago Q4
wos Q4
SJR: 0.211
CiteScore: 1.9
Impact factor: 1.4
ISSN: 00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
The microwave spectra of five isotopomers with the 13C and 18O natural abundance isotopes of the 2-methyl-1,3-dioxane molecule (22–50 GHz) were studied. Rotational transitions of a and c types with 4 ≤ J ≤ 12 were identified. The rotational constants and the substitution r s and effective r o structural parameters of the molecule were determined. Ab initio calculations on 2-methyl-1,3-dioxane were performed with molecular structure optimization. The results of quantum-chemical calculations at different levels are compared with experimental data.
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Mamleev A. Kh. et al. Structure and spectra of 1,3-dioxanes. II. Microwave spectrum, structural parameters, and ab initio calculations of 2-methyl-1,3-dioxane // Journal of Structural Chemistry. 2007. Vol. 48. No. 6. pp. 1030-1035.
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Mamleev A. Kh., Gunderova L. N., Galeev R. V., Shapkin A. A., Faizullin M. G., Nikitina A. P., Shornikov D. V., Kantor E. A. Structure and spectra of 1,3-dioxanes. II. Microwave spectrum, structural parameters, and ab initio calculations of 2-methyl-1,3-dioxane // Journal of Structural Chemistry. 2007. Vol. 48. No. 6. pp. 1030-1035.
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TY - JOUR
DO - 10.1007/s10947-007-0167-9
UR - https://doi.org/10.1007/s10947-007-0167-9
TI - Structure and spectra of 1,3-dioxanes. II. Microwave spectrum, structural parameters, and ab initio calculations of 2-methyl-1,3-dioxane
T2 - Journal of Structural Chemistry
AU - Mamleev, A Kh
AU - Gunderova, L N
AU - Galeev, R V
AU - Shapkin, A A
AU - Faizullin, M G
AU - Nikitina, A P
AU - Shornikov, D V
AU - Kantor, E A
PY - 2007
DA - 2007/11/01
PB - Pleiades Publishing
SP - 1030-1035
IS - 6
VL - 48
SN - 0022-4766
SN - 1573-8779
ER -
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@article{2007_Mamleev,
author = {A Kh Mamleev and L N Gunderova and R V Galeev and A A Shapkin and M G Faizullin and A P Nikitina and D V Shornikov and E A Kantor},
title = {Structure and spectra of 1,3-dioxanes. II. Microwave spectrum, structural parameters, and ab initio calculations of 2-methyl-1,3-dioxane},
journal = {Journal of Structural Chemistry},
year = {2007},
volume = {48},
publisher = {Pleiades Publishing},
month = {nov},
url = {https://doi.org/10.1007/s10947-007-0167-9},
number = {6},
pages = {1030--1035},
doi = {10.1007/s10947-007-0167-9}
}
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MLA
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Mamleev, A. Kh., et al. “Structure and spectra of 1,3-dioxanes. II. Microwave spectrum, structural parameters, and ab initio calculations of 2-methyl-1,3-dioxane.” Journal of Structural Chemistry, vol. 48, no. 6, Nov. 2007, pp. 1030-1035. https://doi.org/10.1007/s10947-007-0167-9.
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