High resolution infrared spectroscopy and global vibrational analysis for the CH3D and CHD3 isotopomers of methane

Molecular Physics

Volumn 108, Issue 7-9, 2010, Pages 1209-1240

  Ulenikov, O N ^a,b   Bekhtereva, E S ^a,b   Albert, S ^a   Bauerecker, S ^a,c   Hollenstein, H ^a   Quack, M ^a  

^a ETH ZURICH   (Switzerland)

^b TOMSK STATE UNIVERSITY   (Russian Federation)

^c TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

CH3D; CHD 3; FTIR; Infrared spectroscopy; Intramolecular quantum dynamics; Isotopes; Methane; Overtone and combination bands; Potential hypersurfaces; Resonances; Spectroscopic parameters; Vibration rotation spectra

Indexed keywords

CH3D; COMBINATION BANDS; FTIR; HYPER-SURFACES; QUANTUM DYNAMICS; SPECTROSCOPIC PARAMETERS; VIBRATION-ROTATION SPECTRA;

ASTRONOMY; FREONS; ISOTOPES; METHANE; QUANTUM THEORY; RESONANCE; ROTATION; SURFACES; VIBRATION ANALYSIS;

INFRARED SPECTROSCOPY;

EID: 77952904536     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.483131     Document Type: Article

References (83)

1. J.H. van't Hoff, Vorlesungen über theoretische und physikalische Chemie (Vieweg, Braunschweig, 1898).
2. L. Pauling, The Nature of the Chemical Bond, 2nd ed. (Oxford University Press, London, 1940).
3. R.N. Zare, Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics (Wiley, New York, 1988).
4. H. Hollenstein, R. Marquardt, M. Quack and M.A. Suhm, J. Chem. Phys. 101 (5), 3588 (1994).
5. H. Hollenstein, R. Marquardt, M. Quack and M.A. Suhm, Ber. Bunsenges. Phys. Chem. 99 (3), 275 (1995).
6. R. Marquardt and M. Quack, J. Chem. Phys. 109 (24), 10628 (1998).
7. S.D. Peyerimhoff, M. Lewerenz and M. Quack, Chem. Phys. Lett. 109 (6), 563 (1984).
8. D.W. Schwenke, Spectrochim. Acta A 58 (4), 849 (2002).
9. R. Marquardt and M. Quack, J. Phys. Chem. A 108 (15), 3166 (2004).
10. M. Quack and J. Troe, Ber. Bunsen-Ges. Phys. Chem. 81, 329 (1977).
11. M. Quack, J. Phys. Chem. 83 (1), 150 (1979).
12. J.P. Camden, H.A. Bechtel, D.J.A. Brown and R.N. Zare, J. Chem. Phys. 124 (3), 034311 (2006).
13. W.F. Hu, G. Lendvay, D. Troya, G.C. Schatz, J.P. Camden, H.A. Bechtel, D.J.A. Brown, M.R. Martin and R.N. Zare, J. Phys. Chem. A 110 (9), 3017 (2006).
14. J.P. Camden, H.A. Bechtel, D.J.A. Brown, M.R. Martin, R.N. Zare, W.F. Hu, G. Lendvay, D. Troya and G.C. Schatz, J. Am. Chem. Soc. 127 (34), 11898 (2005).
15. J.P. Camden, W.F. Hu, H.A. Bechtel, D.J.A. Brown, M.R. Martin, R.N. Zare, G. Lendvay, D. Troya and G.C. Schatz, J. Phys. Chem. A 110 (2), 677 (2006).
16. M. Quack, Angew. Chem. Int. Ed. (Engl.) 28 (5), 571 (1989).
17. M.J.M. Pepper, I. Shavitt, P.v. Rague?Schleyer, M.N. Glukhovtsev, R. Janoschek and M. Quack, J. Comput. Chem. 16 (2), 207 (1995).
18. A. Bakasov, T.K. Ha and M. Quack, J. Chem. Phys. 109 (17), 7263 (1998).
19. R. Marquardt, M. Quack and I. Thanopulos, J. Phys. Chem. A 104 (26), 6129 (2000).
20. M. Lewerenz and M. Quack, J. Chem. Phys. 88 (9), 5408 (1988).
21. T. Carrington, L. Halonen and M. Quack, Chem. Phys. Lett. 140 (5), 512 (1987).
22. X.G. Wang and T. Carrington, J. Chem. Phys. 118 (14), 6260 (2003).
23. X.G. Wang and T. Carrington, J. Chem. Phys. 119 (1), 94 (2003).
24. X.G. Wang and T. Carrington, J. Chem. Phys. 119 (1), 101 (2003).
25. H.G. Yu, J. Chem. Phys. 121 (13), 6334 (2004).
26. S. Albert, S. Bauerecker, V. Boudon, L.R. Brown, J.-P. Champion, M. Loe?te, A. Nikitin and M. Quack, Chem. Phys. 356 (1-3), 131 (2009).
27. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H.M. Niederer, M. Quack, in preparation.
28. H.M. Niederer, S. Albert, S. Bauerecker, V. Boudon, J.P. Champion and M. Quack, Chimia 62 (4), 273 (2008).
29. M. Hippler and M. Quack, J. Chem. Phys. 116 (14), 6045 (2002).
30. O.N. Ulenikov, E.S. Bekhtereva, S.V. Grebneva, H. Hollenstein and M. Quack, Phys. Chem. Chem. Phys. 7 (6), 1142 (2005).
31. O.N. Ulenikov, E.S. Bekhtereva, S.V. Grebneva, H. Hollenstein and M. Quack, Mol. Phys. 104, 3371 (2006).
32. O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H. Hollenstein and M. Quack, J. Phys. Chem. A 113 (10), 2218 (2009).
33. R. Marquardt and M. Quack, J. Chem. Phys. 95 (7), 4854 (1991).
34. R. Marquardt and M. Quack, in Encyclopedia of Chemical Physics and Physical Chemistry, Vol.1 (Fundamentals), edited by J.H. Moore and N. Spencer (IOP, Bristol, 2001), pp. 897-936.
35. H.R. Du?bal and M. Quack, J. Chem. Phys. 81 (9), 3779 (1984).
36. J. Segall, R.N. Zare, H.R. Du?bal, M. Lewerenz and M. Quack, J. Chem. Phys. 86 (2), 634 (1987).
37. A. Amrein, M. Quack and U. Schmitt, J. Phys. Chem. 92 (19), 5455 (1988).
38. O.N. Ulenikov, E.S. Bekhtereva, A.S. Bulavenkova, S. Bauerecker, H. Hollenstein and M. Quack, in Proceedings Nineteenth Colloquium on High Resolution Molecular Spectroscopy, Salamanca, Spain, 11-16 September 2005, edited by D. Bermejo, J.L. Dome?ech, and M.A. Moreno (Sociedad Española de O?ptica, Salamanca, 2005), paper N10.
39. E.S. Bekhtereva, O.N. Ulenikov, E.A. Sinitsin, S. Albert, S. Bauerecker, H. Hollenstein and M. Quack, in Proceedings of the 20th Colloquium on High-Resolution Molecular Spectroscopy, edited by V. Boudon (Universite?de Dijon, Dijon, 2007), paper J 30, p. 268.
40. A.V. Nikitin, J.P. Champion and L.R. Brown, J. Mol. Spectrosc. 240 (1), 14 (2006).
41. S. Albert, K.K. Albert and M. Quack, in Trends in Optics and Photonics (TOPS) (Optical Society of America, Washington, DC, 2003), Vol.84, pp. 177-180.
42. S. Albert and M. Quack, Chem. Phys. Chem. 8 (9), 1271 (2007).
43. S. Albert, S. Bauerecker, M. Quack and A. Steinlin, Mol. Phys. 105 (5), 541 (2007).
44. S. Bauerecker, M. Taraschewski, C. Weitkamp and H.K. Cammenga, Rev. Sci. Instrum. 72 (10), 3946 (2001).
45. S. Bauerecker, Phys. Rev. Lett. 94 (3), 033404 (2005).
46. S. Bauerecker, F. Taucher, C. Weitkamp, W. Michaelis and H.K. Cammenga, J. Mol. Struct. 348, 237 (1995).
47. A.G. Maki and J.S. Wells, NIST Spec. Publ. 821 (1991).
48. L.S. Rothman, D. Jacquemart, A. Barbe, D.C. Benner, M. Birk, L.R. Brown, M.R. Carleer, C. Chackerian, K. Chance, L.H. Coudert, V. Dana, V.M. Devi, J.M. Flaud, R.R. Gamache, A. Goldman, J.M. Hartmann, K.W. Jucks, A.G. Maki, J.Y. Mandin, S.T. Massie, J. Orphal, A. Perrin, C.P. Rinsland, M.A.H. Smith, J. Tennyson, R.N. Tolchenov, R.A. Toth, J. Vander Auwera, P. Varanasi and G. Wagner, J. Quant. Spectrosc. Radiat. Transfer 96 (2), 139 (2005).
49. M. Quack, Mol. Phys. 34 (2), 477 (1977).
50. M. Quack, in Symmetries and Properties of Non-rigid Molecules: A Comprehensive Survey, edited by J. Maruani and J. Serre, in series Studies in Physical and Theoretical Chemistry, Vol.23 (Elsevier, Amsterdam, 1983) pp. 355-378.
51. E.B. Wilson, J.C. Decius and P.C. Cross, Molecular Vibrations the Theory of Infrared and Raman Vibrational Spectra (McGraw-Hill, New York, 1955).
52. H.C. Longuet-Higgins, Mol. Phys. 6 (5), 445 (1963).
53. E.R. Cohen, T. Cvitas, J.G. Frey, B. Holmstro?m, K. Kuchitsu, R. Marquardt, I. Mills, F. Pavese, M. Quack, J. Stohner, H.L. Strauss, M. Takami and A.J. Thor, Quantities, Units and Symbols in Physical Chemistry, 3rd ed., second corrected printing (IUPAC and Royal Society of Chemistry, RSC Publishing, Cambridge, 2008).
54. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, J. Schroderus and S. Alanko, J. Mol. Spectrosc. 200 (1), 1 (2000).
55. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, S. Alanko, M. Koivusaari and R. Anttila, J. Mol. Spectrosc. 186 (2), 293 (1997).
56. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, J. Schroderus, S. Alanko and M. Koivusaari, J. Mol. Struct. 517-518, 25 (2000).
57. E.P. Wigner, Quantum Theory of Angular Momentum (Academic Press, New York, 1965).
58. V.N. Saveliev and O.N. Ulenikov, J. Phys. B - At. Mol. Opt. Phys. 20 (1), 67 (1987).
59. Y.S. Makushin, O.N. Ulenikov and A.E. Cheglokov, Symmetry and Its Applications to the Problems of Molecular Vibration-Rotation Spectroscopy, Parts I and II (in Russian) (Tomsk State University Press, Tomsk, 1990).
60. D.A. Varshalovitch, A.N. Moskalev and V.K. Khersonsky, Quantum Theory of Angular Momentum (Nauka, Leningrad, 1975).
61. U. Fano and G. Racah, Irreducible Tensorial Sets (Academic Press, New York, 1959).
62. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, J. Schroderus and S. Alanko, J. Mol. Spectrosc. 193 (2), 249 (1999).
63. O.N. Ulenikov, G.A. Onopenko, N.E. Tyabaeva, S. Alanko, M. Koivusaari and R. Anttila, J. Mol. Spectrosc. 186 (2), 230 (1997).
64. T.J. Lee, J.M.L. Martin and P.R. Taylor, J. Chem. Phys. 102 (1), 254 (1995).
65. M. Quack, Chimia 57 (4), 147 (2003).
66. T.K. Ha, M. Lewerenz, R. Marquardt and M. Quack, J. Chem. Phys. 93 (10), 7097 (1990).
67. L.F.H. Bovey, J. Chem. Phys. 21 (5), 830 (1953).
68. J.K. Wilmshurst and H.J. Bernstein, Can. J. Chem. - Rev. Can. Chim. 35 (3), 226 (1957).
69. T.A. Wiggins, E.R. Shull, J.M. Bennett and D.H. Rank, J. Chem. Phys. 21 (11), 1940 (1953).
70. G.J. Scherer, K.K. Lehmann and W. Klemperer, J. Chem. Phys. 81 (12), 5319 (1984).
71. G.A. Voth, R.A. Marcus and A.H. Zewail, J. Chem. Phys. 81 (12), 5494 (1984).
72. J.W. Perry, D.J. Moll, A. Kuppermann and A.H. Zewail, J. Chem. Phys. 82 (3), 1195 (1985).
73. A. Campargue and F. Stoeckel, J. Chem. Phys. 85 (3), 1220 (1986).
74. A. Campargue, F. Stoeckel, M. Chenevier and H. Ben Kraiem, J. Chem. Phys. 87 (10), 5598 (1987).
75. D. Permogorov, A. Campargue, M. Chenevier and H.B. Kraiem, J. Mol. Spectrosc. 170 (1), 10 (1995).
76. C. Domingo, A. Delolmo, R. Escribano, D. Bermejo and J.M. Orza, J. Chem. Phys. 96 (2), 972 (1992).
77. M. Quack, Annu. Rev. Phys. Chem. 41, 839 (1990).
78. A. Beil, D. Luckhaus, M. Quack and J. Stohner, Ber. Bunsenges. Phys. Chem. 101 (3), 311 (1997).
79. D. Luckhaus and M. Quack, Chem. Phys. Lett. 205 (2-3), 277 (1993).
80. R. Signorell, R. Marquardt, M. Quack and M.A. Suhm, Mol. Phys. 89 (1), 297 (1996).
81. H.J. Wo?rner and F. Merkt, Angew. Chem.-Int. Edit. 48 (35), 6404 (2009).
82. D.E. Jennings, P.N. Romani, G.L. Bjoraker, P.V. Sada, C.A. Nixon, A.W. Lunsford, R.J. Boyle, B.E. Hesman and G.H. McCabe, J. Phys. Chem. A 113 (42), 11101 (2009).
83. O.N. Ulenikov, A.B. Malikova, S. Alanko, M. Koivusaari and R. Anttila, J. Mol. Spectrosc. 179, 175 (1996).