Pleiades Publishing
Journal of Structural Chemistry
,  volume 48 ,  issue 3 ,  pages 456-461

Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters and ab initio calculations of 1,3-dioxane

Publication type: Journal Article
Publication date: 2007-05-01
Pleiades Publishing
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
Microwave spectra of the 1,3-dioxane molecule (C4H8O2) with the main isotopic composition and four its isotopomers (13C(2)12C3H8 16O2, 13C(4)12C3H8 16O2, 13C(5)12C3H8 16O2, 18O(1)12C4H8 16O) are investigated in a frequency range of 28–44 GHz. Rotational transitions of b-and c-types with 2 ≤ J ≤ 5 are identified. Rotational constants, quartic constants of centrifugal distortion, isotope-substituted r s-and effective r 0-structures of the molecule ring are determined. Experimental data are compared to the results of quantum chemical calculations of different levels.
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Mamleev A. Kh. et al. Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters and ab initio calculations of 1,3-dioxane // Journal of Structural Chemistry. 2007. Vol. 48. No. 3. pp. 456-461.
GOST all authors (up to 50) Copy
Mamleev A. Kh., Gunderova L. N., Galeev R. V., Shapkin A. A., Faizullin M. G., Gorbunova N., Shornikov D. V., Kantor E. A. Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters and ab initio calculations of 1,3-dioxane // Journal of Structural Chemistry. 2007. Vol. 48. No. 3. pp. 456-461.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1007/s10947-007-0068-y
UR - https://doi.org/10.1007/s10947-007-0068-y
TI - Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters and ab initio calculations of 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 - Gorbunova, N.V.
AU - Shornikov, D V
AU - Kantor, E A
PY - 2007
DA - 2007/05/01
PB - Pleiades Publishing
SP - 456-461
IS - 3
VL - 48
SN - 0022-4766
SN - 1573-8779
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2007_Mamleev,
author = {A Kh Mamleev and L N Gunderova and R V Galeev and A A Shapkin and M G Faizullin and N.V. Gorbunova and D V Shornikov and E A Kantor},
title = {Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters and ab initio calculations of 1,3-dioxane},
journal = {Journal of Structural Chemistry},
year = {2007},
volume = {48},
publisher = {Pleiades Publishing},
month = {may},
url = {https://doi.org/10.1007/s10947-007-0068-y},
number = {3},
pages = {456--461},
doi = {10.1007/s10947-007-0068-y}
}
MLA
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MLA Copy
Mamleev, A. Kh., et al. “Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters and ab initio calculations of 1,3-dioxane.” Journal of Structural Chemistry, vol. 48, no. 3, May. 2007, pp. 456-461. https://doi.org/10.1007/s10947-007-0068-y.