Determination of vibrational parameters of 76GeH4 from precision experimental data
Fomchenko A.L.1, Bekhtereva E.S.1, Gromova O.V.1, Nikolaeva N.I.1
1Research School of High-Energy Physics, Tomsk Polytechnic University, Tomsk, Russia
Email: fomchenko@tpu.ru

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Harmonic frequencies, anharmonic parameters, and tetrahedral splitting parameters have been determined for the 76GeH4 molecule, based on experimental data of band centers. As a result, the set of 3 harmonic frequencies, 8 anharmonic parameters, and 8 tetrahedral splitting parameters reproduces 31 initial experimental band centers with a root mean square deviation 0.054 cm-1. Keywords: GeH4, vibrational parameters, local mode model.
  1. I.M. Mills, A.G. Robiette. Mol. Phys., 56 (4), 743 (1985). DOI: 10.1080/00268978500102691
  2. R. Marquardt, K. Sagui, J. Zheng, W. Thiel, D. Luckhaus, S. Yurchenko, F. Mariotti, M. Quack. J. Phys. Chem A., 117 (32), 7502 (2013). DOI: 10.1021/jp4016728
  3. X. Huang, D.W. Schwenke, T.J. Lee. J. Chem. Phys., 134 (4), 044321 (2011). DOI: 10.1063/1.3541352
  4. T.J. Lee, J.M.L. Martin, P.R. Taylor. J. Chem. Phys., 102 (1), 254 (1995). DOI: 10.1063/1.469398
  5. E. Venuti, L. Halonen, R.G. Della Valle. J. Chem. Phys., 110 (15), 7339 (1999). DOI: 10.1063/1.478635
  6. V. Boudon, J.P. Champion, T. Gabard, M. Loete, M. Rotger, Ch. Wenger. Spherical top theory and molecular spectra. Handbook of high--resolution spectroscopy (Chichester, Wiley, 2011), vol. 3, p. 1437--1460. DOI: 10.1002/9780470749593.hrs021
  7. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.V. Kashirina, S. Bauerecker, V.-M. Horneman. J. Mol. Spectrosc., 313, 4 (2015). DOI: 10.1016/j.jms.2015.04.008
  8. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.V. Kashirina, C. Maul, S. Bauerecker. J. Quant. Spectrosc. Radiat. Transf., 164, 117 (2015). DOI: 10.1016/j.jqsrt.2015.06.006
  9. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H. Hollenstein, M. Quack. J. Phys. Chem. A, 113 (10), 2218 (2009). DOI: 10.1021/jp809839t
  10. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, S. Alanko, M. Koivusaari, R. Anttila. J. Mol. Spectrosc., 186 (2), 293 (1997). DOI: 10.1006/jmsp.1997.7431
  11. G. Guelachvili, O.V. Naumenko, O.N. Ulenikov. J. Mol. Spectrosc., 131 (2), 400 (1988). DOI: 10.1016/0022-2852(88)90247-0
  12. U. Fink, H.P. Larson, RR. Treffers. Icarus, 34 (2), 344 (1978). DOI: 10.1016/0019-1035(78)90172-0
  13. F. Chen, D.L. Judge, C.Y. Robert Wu, J. Caldwell, H. Peter White, R. Wagener. J. Geophys. Res., 96 (E2), 17519 (1991). DOI: 10.1029/91JE01687
  14. S.K. Atreya, P.R. Mahaffy, H.B. Niemann, M.H. Wong, T.C. Owen. Planet. Space Sci., 51 (2), 105 (2003). DOI: 10.1016/s0032-0633(02)00144-7
  15. Q.-S. Zhu, B.A. Thrush. J. Chem. Phys., 92, 2691 (1990). DOI: 10.1063/1.458582
  16. Q.-S. Zhu, H. Qian, B.A. Thrush. Chem. Phys. Lett., 186, 436 (1991). DOI: 10.1016/0009-2614(91)90205-N
  17. Q.-S. Zhu, A. Campargue, J. Vetterhoffer, D. Permogorov, F. Stoeckel. J. Chem. Phys., 99, 2359 (1993). DOI: 10.1063/1.465251
  18. F.-G. Sun, X.-G. Wang, Q.-S. Zhu, C. Pierre, G. Pierre. Chem. Phys. Lett., 239, 373 (1995). DOI: 10.1016/0009-2614(95)00475-J
  19. F.-G. Sun, X.-G. Wang, J.-L. Liao, Q.-S. Zhu. J. Mol. Spectrosc., 184, 12 (1997). DOI: 10.1006/jmsp.1997.7281
  20. H. Lin, D. Wang, X.-Y. Chen, X.-G. Wang, Z.-P. Zhou, Q.-S. Zhu. J. Mol. Spectrosc., 192, 249 (1998). DOI: 10.1006/jmsp.1998.7673
  21. X.-Y. Chen, H. Lin, X.-G. Wang, D. Wang, K. Deng, Q.-S. Zhu. J. Mol. Struct., 517-518, 41 (2000). DOI: 10.1016/S0022-2860(99)00237-9
  22. L. Halonen, A.G. Robiette. J. Chem. Phys., 84 (12), 6861 (1998). DOI: 10.1063/1.450690
  23. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H.M. Niederer, M. Quack. J. Chem. Phys., 141 (23), 234302 (2014). DOI: 10.1063/1.4899263
  24. K.T. Hecht. J. Mol. Spectrosc., 5 (1--6), 355 (1961). DOI: 10.1016/0022-2852(61)90102-3
  25. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, M.A. Koshelev, I.A. Velmuzhova, A.D. Bulanov, P.G. Sennikov. J. Quant. Spectrosc. Radiat. Transf., 221, 129 (2018). DOI: 10.1016/j.jqsrt.2018.09.023
  26. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, A.V. Kuznetsov, M.A. Koshelev, I.A. Velmuzhova, P.G. Sennikov. J. Quant. Spectrosc. Radiat. Transf., 225, 206 (2019). DOI: 10.1016/j.jqsrt.2018.12.036
  27. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, M.A. Koshelev, I.A. Velmuzhova, P.G. Sennikov, A.D. Bulanov, A.V. Kuznetsov, C. Leroy. J. Quant. Spectrosc. Radiat. Transf., 236, 106593 (2019). DOI: 10.1016/j.jqsrt.2019.106593
  28. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, K. Berezkin, C. Sydow, S. Bauerecker. J. Quant. Spectrosc. Radiat. Transf., 242, 106755 (2020). DOI: 10.1016/j.jqsrt.2019.106755
  29. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, P.G. Sennikov, M.A. Koshelev, I.A. Velmuzhova, A.P. Velmuzhov, A.D. Bulanov. J. Quant. Spectrosc. Radiat. Transf., 144, 11 (2014). DOI: 10.1016/j.jqsrt.2014.03.025
  30. M.A. Koshelev, A.P. Velmuzhov, I.A. Velmuzhova, P.G. Sennikov, N.I. Raspopova, E.S. Bekhtereva, O.V. Gromova, O.N. Ulenikov. J. Quant. Spectrosc. Radiat. Transf., 164, 161 (2015). DOI: 10.1016/j.jqsrt.2015.06.003
  31. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, A.L. Fomchenko, P.G. Sennikov, M.A. Koshelev, I.A. Velmuzhova, A.P. Velmuzhov. J. Quant. Spectrosc. Radiat. Transf., 182, 199 (2016). DOI: 10.1016/j.jqsrt.2016.05.014
  32. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, P.G. Sennikov, M.A. Koshelev, I.A. Velmuzhova, A.P. Velmuzhov, S.A. Adamchik. J. Quant. Spectrosc. Radiat. Transf., 205, 96 (2018). DOI: 10.1016/j.jqsrt.2017.09.025
  33. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Raspopova, I.A. Velmuzhova, M.A. Koshelev, P.G. Sennikov. J. Quant. Spectrosc. Radiat. Transf., 262, 107517 (2021). DOI: 10.1016/j.jqsrt.2021.107517
  34. O.N. Ulenikov, O.V. Gromova, E.S. Bekhtereva, N.I. Nikolaeva, I.A. Velmuzhova, M.A. Koshelev. Spectrochim. Acta A, 275, 121135 (2022). DOI: 10.1016/j.saa.2022.121135
  35. M.L. Sage, J. Jortner. Bond modes. Advance in Chemical Physics (Chichester, New York, 1981), vol. 47, p. 293--322. DOI: 10.1002/9780470142677.ch5

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