Authors: A Kh Mamleev R V Galeev L N Gunderova M G Faizullin A A Shapkin
Publish Date: 2008/09/14
Volume: 49, Issue: 4, Pages: 639-643
Abstract
The microwave spectrum of 5methyl13dioxane was studied in the frequency range 12–35 GHz The a and c type rotation transitions with J≤30 were identified The rotational constants A = 4658524433 MHz B = 2383393012 MHz and C = 17242890788 MHz and the quartic constants of the centrifugal distortion of the molecule in the ground vibrational state were determined The components of the dipole moment were found μ a = 176 ± 001 D and μ c = 110 ± 001 D the net dipole moment of the molecule is μ = 208 ± 001 D 5Methyl13dioxane was calculated by the B3PW91/augccpVDZ density functional theory method The calculated data are compared with the experimental data The most stable conformation is the chair conformation with an equatorial orientation of the methyl group
Keywords: