Rotational spectrum, conformation and dipole moment of 4-methyl-1,3-dioxane

A. A. Shapkin; R. V. Galeev; L. N. Gunderova; M. G. Fayzullin; A. H. Mamleev

doi:10.1117/12.724843

13 December 2006 Rotational spectrum, conformation and dipole moment of 4-methyl-1,3-dioxane

A. A. Shapkin, R. V. Galeev, L. N. Gunderova, M. G. Fayzullin, A. H. Mamleev

Proceedings Volume 6580, 15th Symposium on High-Resolution Molecular Spectroscopy; 658006 (2006) https://doi.org/10.1117/12.724843
Event: 15th Symposium on High-Resolution Molecular Spectroscopy, 2006, Nizhny Novgorod, Russian Federation

Abstract

The rotational spectrum of 4-methyl-1,3-dioxane, C₅H₁₀0₂, has been recorded from 16.0 to 40.0 GHz. The a-, b- and C- type transitions with J≤57 have been observed and assigned for the normal species in the ground vibrational state. The rotational constants and the quartic centrifugal distortion constants were determined to be A = 4802.335(2) MHz, B = 2376.163(1) MHz, C = 1738.852(1) MHz and Δ_J = 0.1496(6) kHz, Δ_JK = 0.157(5) kHz, Δ_K = 0.76(3) kHz, δJ = 0.0423(1) kHz, δK 0.260(3) kHz. Stark effect measurements were used to determine the projections of the dipole moment on the principal inertial axes (in Debye units): μ_a = 0.73(1), μ_b = 1.32(1), _c = 1.36(1) and μ_tot = 2.03(2). Comparison of the experimental rotational constants and dipole moment components with results of ab initio calculations (B3PW91/aug-cc-pVDZ) shown that 4-methyl-l,3-dioxane exist in chair form with equatorial orientation of methyl group.

Citation Download Citation

A. A. Shapkin, R. V. Galeev, L. N. Gunderova, M. G. Fayzullin, and A. H. Mamleev "Rotational spectrum, conformation and dipole moment of 4-methyl-1,3-dioxane", Proc. SPIE 6580, 15th Symposium on High-Resolution Molecular Spectroscopy, 658006 (13 December 2006); https://doi.org/10.1117/12.724843

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available