Abstract
Microwave spectrum of 2-methyl-1,3-dioxane has been investigated in the frequency range 8–40 GHz. Rotational a-type and c-type transitions with J≤40 have been identified. Rotational constants A = 4658.122(2) MHz, B = 2503.221(1) MHz, C = 1783.950(1) MHz and centrifugal distortion constants for the ground vibrational state have been found. Dipole moment components µa = 1.43 ± 0.01 D, µc = 1.15±0.01 D and overall dipole moment µ = 1.84±0.02 D have been determined. The data obtained are in accord with the chair conformation of the molecule having equatorial arrangement of the methyl group.
Similar content being viewed by others
References
E. L. Eliel and Sr. M. C. Knoeber, J. Am. Chem. Soc., 90, 3444–3458 (1968).
D. L. Rakhmankulov, A. M. Syrkin, R. A. Karakhanov, et al., Physical Chemical Properties of 1,3-Dioxanes [in Russian], Khimiya, Moscow (1980).
A. N. Vereschagin, V. E. Kataev, A. A. Bredikhin, et al., Conformational Analysis of Hydrocarbons and Their Derivatives [in Russian], Nauka, Moscow (1990).
A. Domenicano and I. Hargittai (eds.), Accurate Molecular Structures — Their Determination and Importance (Russian translation), Oxford University Press UK (1992).
E. G. Mazitova, A. E. Kuramshina, and V. V. Kuznetzov, Zh. Org. Khim., 40, No. 4, 615/616 (2004).
R. Kewley, Can. J. Chem., 50, 1690–1697 (1972).
R. S. Lowe and R. Kewley, J. Mol. Spectr., 60, 312–323 (1976).
J. L. Alonso and E. B. Wilson Jr., J. Am. Chem. Soc., 102, 1248–1251 (1980).
J. C. Lopez, J. L. Alonso, and R. M. Villamanan, J. Mol. Struct., 147, 67–76 (1986).
Lee Jung Eun, Oh Jung Jin, J. Mol. Spectr., 199, 124–127 (2000).
S. Antolinez, A. Lesarri, S. Mata, et al., J. Mol. Struct., 612, 125–131 (2002).
A. Kh. Mamleev, R. V. Galeev, L. N. Gunderova, et al., Electronic Journal “Issledovano v Rossii,” http://zhurnal.ape.relarn.ru/articles/2005/025.pdf., 25, 267–274 (2005).
J. K. G. Watson, J. Chem. Phys., 46, 1935 (1967).
J. S. Muenter, ibid., 48, 4544 (1968).
S. Golden and E. B. Wilson Jr., ibid., 16, 669–685 (1948).
Author information
Authors and Affiliations
Additional information
Original Russian Text Copyright © 2006 by A. Kh. Mamleev, R. V. Galeev, L. N. Gunderova, M. G. Faizullin, and A. A. Shapkin
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 47, No.2, pp. 373–375, March–April, 2006.
Rights and permissions
About this article
Cite this article
Mamleev, A.K., Galeev, R.V., Gunderova, L.N. et al. Microwave spectrum, centrifugal distortion, dipole moment and conformation of 2-methyl-1,3-dioxane. J Struct Chem 47, 367–370 (2006). https://doi.org/10.1007/s10947-006-0308-6
Received:
Issue Date:
DOI: https://doi.org/10.1007/s10947-006-0308-6