On the 'expanded local mode' approach applied to the methane molecule: Isotopic substitutions CH3D ←cH4 and CHD3 ←cH4

Molecular Physics

Volumn 112, Issue 19, 2014, Pages 2529-2556

  Ulenikov, O N ^a,b   Bekhtereva, E S ^a,b   Fomchenko, A L ^b,c   Litvinovskaya, A G ^b   Leroy, C ^a,c   Quack, M ^d  

^a NATIONAL RESEARCH TOMSK POLYTECHNIC UNIVERSITY   (Russian Federation)

^b TOMSK STATE UNIVERSITY   (Russian Federation)

^c UNIVERSITÉ DE BOURGOGNE   (France)

^d ETH ZURICH   (Switzerland)

Author keywords

Effective Hamiltonians; Energy levels; Infrared spectra; Isotope effects; Methane

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; METHANE; MOLECULES; PERTURBATION TECHNIQUES; WATER VAPOR;

AB INITIO CALCULATIONS; EFFECTIVE HAMILTONIAN; INFRARED SPECTRUM; INTRAMOLECULAR POTENTIAL; ISOTOPE EFFECT; ISOTOPIC SUBSTITUTION; SPECTROSCOPIC PARAMETERS; STRUCTURAL PARAMETER;

ISOTOPES;

EID: 84908044325     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2014.912360     Document Type: Article

References (72)

1. M. Quack and F. Merkt, editors, Handbook of High Resolution Spectroscopy (Wiley, Chichester, 2011).
2. J. Tyndall, Phil. Trans. R. Soc. 152, 59 (1862).
3. H.-M. Niederer, S. Albert, S. Bauerecker, V. Boudon, J.-P. Champion, and M. Quack, Chimia 62, 273 (2008).
4. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H. Hollenstein, and M. Quack, J. Phys. Chem. A 113, 2218 (2009).
5. M. Hippler and M. Quack, J. Chem. Phys. 116, 6045 (2002).
6. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H. Hollenstein, and M. Quack,Mol. Phys. 108, 1209 (2010).
7. S. Albert, S. Bauerecker, V. Boudon, L.R. Brown, J.-P. Champion, M. Löete, A. Nikitin, and M. Quack, Chem. Phys. 356, 131 (2009).
8. S. Albert, K. Keppler Albert, and M. Quack, in Handbook of High Resolution Spectroscopy, edited by M. Quack and F. Merkt (Wiley, Chichester, 2011), Vol. 2, p. 965.
9. G. Pierre, J.-C. Hilico, C. De Bergh, and J.-P. Maillard, J. Mol. Spectrosc. 82, 379 (1980).
10. A. De Martino, R. Frey, and F. Pradère, Mol. Phys. 55, 731 (1985).
11. S. Peyerimhoff, M. Lewerenz, and M. Quack, Chem. Phys. Lett. 109, 563 (1984).
12. M. Lewerenz and M. Quack, J. Chem. Phys. 88, 5408 (1988).
13. A. Campargue and D. Permogorov, Chem. Phys. 182, 281 (1994).
14. D. Permogorov, A. Campargue, M. Chenevier, and H. Ben Kraiem, J. Mol. Spectrosc. 170, 10 (1995).
15. Zhen. Lin, K. Boraas, and J.P. Reilly, J. Mol. Spectrosc. 170, 266 (1995).
16. A. Campargue, F. Stoeckel, M. Chenevier, and H. Ben Kraiem, J. Chem. Phys. 87, 5598 (1987).
17. H. Ben Kraiem, A. Campargue, M. Chenevier, and F. Stoeckel, J. Chem. Phys. 91, 2148 (1989).
18. C. Domingo, A. del Olmo, R. Escribano, D. Bermejo, and J.M. Orza, J. Chem. Phys. 96, 972 (1992).
19. M Quack, Ann. Rev. Phys. Chem. 41, 839 (1990).
20. E. Sciamma-O'Brien, S. Kassi, B. Gao, and A. Campargue, J. Quant. Spectrosc. Radiat. Transfer 110, 951 (2009).
21. E.S. Bekhtereva, O.N. Ulenikov, S. Albert, S. Bauerecker, and M. Quack, in Proceedings of the XVIII European Conference on Dynamics of Molecular Systems, edited by A. Varandas (Universidade de Coimbra, Curia/Anadia, 2010), paper P 62, p. 166.
22. L. Wang, S. Kassi, A.W. Liu, S.M. Hu, and A. Campargue, J. Mol. Spectrosc. 261, 41 (2010).
23. A. Campargue LeWang, S. Kassi, M. Masat, and O. Votava, J. Quant. Spectrosc. Radiat. Transfer 111, 1141 (2010).
24. A. Campargue, L. Wang, A.W. Liu, S.M. Hu, and S. Kassi, Chem. Phys. 373, 203 (2010).
25. O. Votava, M. Masat, P. Prahna, S. Kassi, and A. Campargue, Phys. Chem. Chem. Phys. 12, 3145 (2010).
26. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H.-M. Niederer, and M. Quack, in Proceedings of the XVIII European Conference on Dynamics ofMolecular Systems, edited by A. Varandas (Universidade de Coimbra, Curia/Anadia, 2010), paper P 5, p. 109.
27. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H.-M. Niederer, and M. Quack, in Proceedings of the 22nd International Conference on High Resolution Molecular Spectroscopy, edited by J. Koubek and P. Prahna (Institute of Chemical Technology, Prague, 2012), paper J 42, p. 205.
28. C. Manca Tanner and M. Quack, Mol. Phys. 110, 2111 (2012).
29. O.N. Ulenikov, E.S. Bekhtereva, S.V. Grebneva, H. Hollenstein, and M. Quack, Phys. Chem. Chem. Phys. 7, 1142 (2005).
30. O.N. Ulenikov, E.S. Bekhtereva, S.V. Grebneva, H. Hollenstein, and M. Quack, Mol. Phys. 104, 3371 (2006).
31. R. Marquardt and M. Quack, J. Chem. Phys. 109, 10628 (1998).
32. R. Marquardt and M. Quack, in Handbook of High Resolution Spectroscopy, edited byM. Quack and F. Merkt (Wiley, Chichester, 2011), Vol. 1, p. 511.
33. Yu.S. Makushkin and O.N. Ulenikov, Opt. Spectrosc. 39, 629 (1975).
34. A.D. Bykov, Yu.S. Makushkin, and O.N. Ulenikov, J. Mol. Spectrosc. 85, 462 (1981).
35. O.N. Ulenikov, E.S. Bekhtereva, C. Leroy, and A.L. Fomchenko, J. Mol. Spectrosc. 264, 61 (2010).
36. O.N. Ulenikov, A.L. Fomchenko, E.S. Bekhtereva, O.V. Gromova, and C. Leroy, Mol. Phys. 109, 2111 (2011).
37. O.N. Ulenikov, R.N. Tolchenov, and Q.-S. Zhu, Spectrochim. Acta A 52, 1829 (1996).
38. O.N. Ulenikov, S.N. Yurchenko, and R.N. Tolchenov, Spectrochim. Acta A 53, 329 (1997).
39. O.N. Ulenikov, R.N. Tolchenov, and Q.-S. Zhu, Spectrochim. Acta. A 53, 845 (1997).
40. U. Fano and G. Racah, Irreducible Tensorial Sets (Academic Press, New York, 1959).
41. E.P. Wigner, Quantum Theory of Angular Momentum (Academic Press, New York, 1965).
42. D.A. Varshalovitch, A.N. Moskalev, and V.K. Khersonsky, Quantum Theory of Angular Momentum (Nauka, Leningrad, 1975).
43. O.N. Ulenikov, A.B. Malikova, S. Alanko, M. Koivusaari, and R. Anttila, J. Mol. Spectrosc. 179, 175 (1996).
44. Yu.S. Makushkin, O.N. Ulenikov, and A.E. Cheglokov, Symmetry and Its Applications to the Problems of Molecular Vibration-Rotation Spectroscopy, Parts I and II (Tomsk State University Press, Tomsk, 1990).
45. V.N. Saveliev and O.N. Ulenikov, J. Phys.B:At. Mol. Phys. 20, 67 (1987).
46. H.H. Nielsen, Rev. Mod. Phys. 23, 90 (1951).
47. D. Papousek and M.R. Aliev, Molecular Vibrational- Rotational Spectra (Elsevier Scientific Publishing Company, Amsterdam, 1982).
48. Yu.S. Makushkin and O.N. Ulenikov, J. Mol. Spectrosc. 68, 1 (1977).
49. A.E. Cheglokov, O.N. Ulenikov, A.S. Zhilyakov, V.N. Cherepanov, Yu.S. Makushkin, and A.B. Malikova, J. Phys. B: At. Mol. Opt. Phys. 22, 997 (1989).
50. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, S. Alanko, M. Koivusaari, and R. Anttila, J. Mol. Spectrosc. 186, 293 (1997).
51. O.N. Ulenikov, A.B. Malikova, S. Alanko, M. Koivusaari, and R. Anttila, J. Mol. Spectrosc. 179, 175 (1996).
52. O.N. Ulenikov, E.S. Bekhtereva, O.V. Gromova, S. Albert, S. Bauerecker, V.-M. Horneman, and M. Quack, in Proceedings of the 23rd Colloquium on High Resolution Molecular Spectroscopy, edited by A. Császár (University of Eötvös Lorand, Budapest, 2013), paper L 10, p. 264.
53. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, R. Anttila, S. Alanko, and J. Schroderus, J. Mol. Spectrosc. 201, 9 (2000).
54. T.J. Lee, J.M.L. Martin, and P.R. Taylor, J. Chem. Phys. 102, 254 (1995).
55. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, J. Schroderus, and S. Alanko, J. Mol. Spectrosc. 201, 1 (2000).
56. R. Mecke, Z. Phys. 99, 217 (1936).
57. M.L. Sage and J. Jortner, Adv. Chem. Phys. 47, 293 (1981).
58. M.S. Child and R.T. Lawton, Faraday Discuss. Chem. Soc. 71, 273 (1981);
59. R. T. Lawton and M.S. Child, Mol. Phys. 40, 773 (1980);
60. Nuovo Cimento B 63, 262 (1981).
61. M.S. Child and L. Halonen, Adv. Chem. Phys. 57, 1 (1984).
62. I.M. Mills and A.G. Robiette, Mol. Phys. 56, 743 (1985).
63. M. Quack, Faraday Discuss. Chem. Soc. 71, 359 (1981).
64. T. Lukka and L. Halonen, J. Chem. Phys. 101, 8380 (1994).
65. O.N. Ulenikov and I.M. Olekhnovitch, Spectrochim. Acta A 54, 1337 (1998).
66. O.N. Ulenikov, E.S. Bekhtereva, and C. Leroy, Mol. Phys. 107, 1409 (2009).
67. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, J. Schroderus, and S. Alanko, J. Mol. Spectrosc. 193, 249 (1999).
68. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, S. Alanko, M. Koivusaari, and R. Anttila, J. Mol. Spectrosc. 186, 230 (1997).
69. A.V. Nikitin, V. Boudon, Ch.Wenger, S. Albert, L.R. Brown, S. Bauerecker and M. Quack, Phys. Chem. Chem. Phys. 15, 10071 (2013).
70. S. Albert and M. Quack,Chem. Phys.Chem. 8, 1271 (2007).
71. H.M. Niederer, X.G. Wang, T. Carrington, A. ALbert, S. Bauerecker, V. Boudon, and M. Quack, J. Mol. Spectrosc. 291, 33 (2013).
72. L.R. Brown, K. Sung, D.C. Benner, V.M. Devi, V. Boudon, T. Gabard, C. Wenger, A. Campargue, O. Leshchishina, S. Kassi, D. Mondelain, L. Wang, L. Daumont, L. Régalia, M. Rey, X. Thomas, Vl.G. Tyuterev, O.M. Lyulin, A.V. Nikitin, H.M. Niederer, S. Albert, S. Bauerecker, M. Quack, J.J. O'Brien, I.E. Gordon, L.S. Rothman, H. Sasada, A. Coustenis, M.A.H. Smith, T. Carrington, X.-G. Wang, A.W. Mantz, P.T. Spickler, J. Quant. Spectrosc.Rad. Transfer 130, 201 (2013).