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Structure and spectra of 1,3,2-dioxaphospholenes. 1. Microwave spectra of 2-chloro-4,5-dimethyl-1,3,2-dioxaphospholene and its isotopomers in the ground and excited vibrational states

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Abstract

The microwave spectrum of 2-chloro-4,5-dimethyl-1,3,2-dioxaphospholene (1) was studied in the frequency range from 7 to 53 GHz. Rotational transitions of the parent molecule in the ground and eleven excited vibrational states and those of its mono-substituted 37Cl, 13CMe, and 13CCycle isotopomers in the ground vibrational state were identified. Rotational constants and partial r s-structure were obtained. The quartic centrifugal distortion constants, dipole moment components μa = 3.8D and μc = 0.24D (the total dipole moment μ is 3.81D), and the 35Cl quadrupole coupling constants were determined for the parent molecule. The fine structure of the microwave transitions in the parent molecule was analyzed under the assumption of noninteracting methyl groups. The height of the barrier to internal rotation (V 30 = V 03 = 665 cm–1) and the frequency of torsional vibrations (ν = 167 cm–1) were found. The frequencies of two lowest vibrational modes corresponding to deformation vibrations of the five-membered ring were estimated (ν∼100 cm–1) from the relative intensities of rotational transitions for different vibrational states.

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References

  1. I. F. Lutsenko, M. V. Proskurnina, T. N. Kudryavtseva, N. B. Karlstedt, and T. G. Shestakova, Zh. Obshch. Khim., 1981, 51, 961 [J. Gen. Chem. USSR, 1981, 51 (Engl. Transl.)].

    Google Scholar 

  2. N. B. Karlstedt, T. N. Kudryavtseva, M. V. Proskurnina, and I. F. Lutsenko, Zh. Obshch. Khim., 1982, 52, 1974 [J. Gen. Chem. USSR, 1982, 52 (Engl. Transl.)].

    Google Scholar 

  3. E. A. Ishmaeva, I. I. Patsanovskii, M. V. Proskurnina, E. N. Strelkova, N. B. Karlstedt, and A. N. Pudovik, Dokl. Akad. Nauk SSSR, 1983, 272, 136 [Dokl. Chem., 1983 (Engl. Transl.)].

    Google Scholar 

  4. R. V. Galeev, L. N. Gunderova, G. R. Garipova, A. H. Mamleev, N. M. Pozdeev, L. S. Khaikin, M. V. Proskurnina, L. V. Vilkov, N. S. Zefirov, M. Alcolea Palafox, and J. E. Boggs, Tr. V Vsesoyuznogo soveshchaniya po izucheniyu struktury molekul v gazovoi faze [Proc. Vth All-Union Meeting on Studies of the Molecular Structure in the Gas Phase], Mezhvuzovskii sb., IKhTI, Ivanovo, 1990, 107 (in Russian).

    Google Scholar 

  5. A. C. Legon, Chem. Rev., 1980, 80, 231.

    Google Scholar 

  6. K. Tamagawa and R. L. Hilderbrandt, J. Am. Chem. Soc., 1984, 106, 20.

    Google Scholar 

  7. L. W. Richardson, P. W. Jagodzinski, M. A. Harthcock, and J. Laane, J. Chem. Phys., 1980, 73, 5556.

    Google Scholar 

  8. J. R. Durig, B. J. Streusand, Y. S. Li, L. Richardson, and J. Laane, J. Chem. Phys., 1980, 73, 5564.

    Google Scholar 

  9. M. A. Harthcock and J. Laane, J. Chem. Phys., 1983, 79, 2103.

    Google Scholar 

  10. M. Alcolea Palafox, V. I. Perevozchikov, J. E. Boggs, and L. S. Khaikin, J. Mol. Struct. THEOCHEM., 1991, 228, 315.

    Google Scholar 

  11. L. S. Khaikin, E. A. Zhilinskaya, O. E. Grikina, and L. V. Vilkov, 16th Austin Symp. on Molecular Structure, Austin, Texas USA, March 4–6, Austin, 1996, S7, p. 110.

    Google Scholar 

  12. L. S. Khaikin, O. E. Grikina, E. A. Zhilinskaya, and B. I. Zhilinskii, 18th Austin Symp. on Molecular Structure, Austin, Texas USA, March 6–8, Austin, 2000, S19, p. 91.

    Google Scholar 

  13. O. E. Grikina, L. S. Khaikin, and M. Alcolea Palafox, in Spectroscopy of Biological Molecules: Modern Trends, Eds. P. Carmona, R. Navarro, and A. Hernanz, Kluver Academic Publishers, Dordrecht-Boston-London, 1997, 539.

    Google Scholar 

  14. L. S. Khaikin, V. V. Smirnov, M. V. Proskurnina, A. V. Golubinskii, L. V. Vilkov, and N. S. Zefirov, Dokl. Akad. Nauk SSSR, 1987, 296, 169 [Dokl. Chem., 1987 (Engl. Transl.)].

    Google Scholar 

  15. L. S. Khaikin, V. A. Sipachev, A. V. Beklemishev, N. M. Pozdeev, E. A. Zhilinskaya, M. V. Proskurnina, and L. V. Vilkov, Vestn. Mosk. Univ., Ser. 2: Khim., 1997, 38, 222 [Moscow Univ. Bull., Ser. 2, Chem., 1997, 38 (Engl. Transl.)].

    Google Scholar 

  16. L. S. Khaikin, V. A. Sipachev, A. V. Beklemishev, M. V. Proskurnina, N. M. Pozdeev, and L. V. Vilkov, 16th Austin Symp. on Molecular Structure, Austin, Texas USA, March 4–6, Austin, 1996, S8, p. 111.

    Google Scholar 

  17. A. Kh. Plyamovatyi, S. A. Katsuba, M. V. Proskurnina, L. S. Khaikin, O. E. Grikina, M. Alcolea Palafox, R. R. Shagidullin, and J. E. Boggs, 16th Austin Symp. on Molecular Structure, Austin, Texas USA, March 4–6, Austin, 1996, SN24, p. 145.

    Google Scholar 

  18. R. V. Galeev, L. N. Gunderova, G. R. Garipova, A. H. Mamleev, N. M. Pozdeev, O. L. Varand, M. V. Proskurnina, and L. S. Khaikin, 13th Austin Symp. on Molecular Structure, Austin, Texas USA, March 12–14, Austin, 1990, S17, p. 103.

    Google Scholar 

  19. R. V. Galeev, L. N. Gunderova, G. R. Garipova, A. H. Mamleev, N. M. Pozdeev, M. V. Proskurnina, and L. S. Khaikin, 14th Austin Symp. on Molecular Structure, Austin, Texas USA, March 2–4, Austin, 1992, S18, p. 101.

    Google Scholar 

  20. R. V. Galeev, L. N. Gunderova, A. H. Mamleev, and N. M. Pozdeev, Xth All-Union Symposium and School on High Resolution Molecular Spectroscopy, Proc. SPIE, 1992, 1811, 228.

    Google Scholar 

  21. R. V. Galeev, L. N. Gunderova, G. R. Garipova, A. H. Mamleev, N. M. Pozdeev, O. L. Varand, M. V. Proskurnina, and L. S. Khaikin, Xth All-Union Symposium and School on High Resolution Molecular Spectroscopy, Proc. SPIE, 1992, 1811, 235.

    Google Scholar 

  22. R. V. Galeev, L. N. Gunderova, G. R. Garipova, A. H. Mamleev, N. M. Pozdeev, M. V. Proskurnina, and L. S. Khaikin, 16th Austin Symp. on Molecular Structure, Austin, Texas USA, March 4–6, Austin, 1996, SN16, p. 137.

    Google Scholar 

  23. R. V. Galeev, A. H. Mamleev, L. N. Gunderova, and N. M. Pozdeev, Mikrovolnovyi spektr 4,5-dimetil-2-khlor-1,3,2-dioksafosfolena osnovnogo izotopnogo sostava i monozameshchennykh molekul s izotopami 37 Cl, 13 C Me , 13 C cycl [Microwave Spectrum of 2-Cl-4,5-dimethyl-1,3,2-dioxaphospholene and Mono-Substituted Molecules with 37 Cl, 13 C Me , and 13 C cycl ], Deposited in and available from VINITI, No. 1739-B94, Moscow, 1994, 35 pp. (in Russian).

  24. R. V. Galeev, L. N. Gunderova, A. H. Mamleev, and N. M. Pozdeev, A. A. Shapkin, and L. S. Khaikin, Elektronnyi zhurnal “Issledovano v Rossii” [Electronic journal “Investigated in Russia”], 2001, 18, 188 (in Russian). This material can be accessed via the Internet at URL http://zhurnal.ape.relarn.ru/articles/2001/018.pdf.

    Google Scholar 

  25. L. N. Gunderova and N. M. Pozdeev, Kvazizhestkii asimmetrichnyi volchok. Kompleks programm [A Program Package for Quasi-Rigid Asymmetric Top], Deposited in and available from VINITI, No. 2135-B89, Moscow, 1989, 39 pp. (in Russian).

  26. L. N. Gunderova and N. M. Pozdeev, Kompleks programm dlya issledovaniya mikrovolnovykh spektrov molekul s vnutrennim vrashcheniem [A Program Package for Interpreting Microwave Spectra of Molecules with Internal Rotation], Deposited in and available from VINITI, No. 254-B92, Moscow, 1992, 46 pp. (in Russian).

  27. J. K. G. Watson, J. Chem. Phys., 1967, 46, 1935.

    Google Scholar 

  28. J. E. Wallrab, Rotational Spectra and Molecular Structure, Academic Press, New York-London, 1967.

    Google Scholar 

  29. M. L. Sage, J. Chem. Phys., 1961, 35, 142.

    Google Scholar 

  30. A. Trinkaus, H. Dreizler, and H. D. Rudolph, Z. Naturforsch., 1973, 28A, 750.

    Google Scholar 

  31. G. K. Pandey, H. Luntz, and H. Dreizler, Z. Naturforsch., 1976, 31A, 1413.

    Google Scholar 

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Authors and Affiliations

  1. Institute of Physics of Molecules and Crystals, Ufa Research Center of the Russian Academy of Sciences, 151 prosp. Oktyabrya, 450075, Ufa, Russian Federation

    R. V. Galeev, L. N. Gunderova, A. H. Mamleev, A. A. Shapkin & N. M. Pozdeev

  2. Department of Chemistry, M. V. Lomonosov Moscow State University, Leninskie Gory, 119899, Moscow, Russian Federation

    O. E. Grikina, M. V. Proskurnina & L. S. Khaikin

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  1. R. V. Galeev
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  2. L. N. Gunderova
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  3. A. H. Mamleev
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  5. N. M. Pozdeev
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  6. O. E. Grikina
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  7. M. V. Proskurnina
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  8. L. S. Khaikin
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Galeev, R.V., Gunderova, L.N., Mamleev, A.H. et al. Structure and spectra of 1,3,2-dioxaphospholenes. 1. Microwave spectra of 2-chloro-4,5-dimethyl-1,3,2-dioxaphospholene and its isotopomers in the ground and excited vibrational states. Russian Chemical Bulletin 50, 1605–1611 (2001). https://doi.org/10.1023/A:1013034501956

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