A laboratory and theoretical study of protonated carbon disulfide, HSCS+

Journal of Chemical Physics

Volumn 130, Issue 23, 2009, Pages

  McCarthy, M C ^a,b   Thaddeus, P ^a,b   Wilke, Jeremiah J ^c   Schaefer, Henry F ^c  

^a HARVARD SMITHSONIAN CENTER FOR ASTROPHYSICS   (United States)

^b HARVARD UNIVERSITY   (United States)

^c UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC VIBRATIONAL FREQUENCY; ASTRONOMICAL SOURCES; BASIS SETS; CENTIMETER-WAVE; CENTRIFUGAL DISTORTION CONSTANTS; COUPLED CLUSTERS; COUPLED-CLUSTER CALCULATIONS; FOURIER TRANSFORM MICROWAVE SPECTROSCOPY; INFRARED INTENSITY; ISOTOPIC SPECIES; NONPOLAR MOLECULES; PROTON AFFINITY; PROTONATED; ROTATIONAL SPECTRA; SUBMILLIMETER BAND; THEORETICAL STUDY;

ASTRONOMICAL SATELLITES; CENTRIFUGATION; ISOMERS; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RADIO TELESCOPES; TELESCOPES;

CARBON DISULFIDE;

EID: 67649114368     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3137057     Document Type: Article

References (61)

1. S. E. Wheeler, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 0021-9606 124, 044322 (2006). 10.1063/1.2150819
2. M. Bogey, C. Demuynck, and J. L. Destombes, J. Chem. Phys. 0021-9606 84, 10 (1986). 10.1063/1.450184
3. M. Bogey, C. Demuynck, J. L. Destombes, and A. Krupnov, J. Mol. Struct. 0022-2860 190, 465 (1988). 10.1016/0022-2860(88)80305-3
4. Y. Ohshima and Y. Endo, Chem. Phys. Lett. 0009-2614 256, 635 (1996). 10.1016/0009-2614(96)00500-3
5. C. A. Gottlieb, A. J. Apponi, M. C. McCarthy, P. Thaddeus, and H. Linnartz, J. Chem. Phys. 0021-9606 113, 1910 (2000). 10.1063/1.481994
6. M. C. McCarthy and P. Thaddeus, J. Chem. Phys. 0021-9606 127, 221104 (2007). 10.1063/1.2822042
7. M. Meot-Ner and F. H. Field, J. Chem. Phys. 0021-9606 66 4527 (1977). 10.1063/1.433706
8. B. J. McIntosh, N. G. Adams, and D. Smith, Chem. Phys. Lett. 0009-2614 148, 142 (1988). 10.1016/0009-2614(88)80290-2
9. E. P. Hunter and S. G. Lias, J. Phys. Chem. Ref. Data 0047-2689 27, 413 (1998) (and references therein).
10. J. A. Burt, J. L. Dunn, M. J. McEwan, M. M. Sutton, A. E. Roche, and H. L. Schiff, J. Chem. Phys. 0021-9606 52, 6062 (1970). 10.1063/1.1672909
11. G. Gioumousis and D. P. Stevenson, J. Chem. Phys. 0021-9606 29, 294 (1958). 10.1063/1.1744477
12. M. Bogey, C. Demuynck, J. L. Destombes, and B. Lemoine, J. Mol. Spectrosc. 0022-2852 107, 417 (1984). 10.1016/0022-2852(84)90019-5
13. L. Margules, F. Lewen, G. Winniwisser, P. Botschwina, and H. S. P. Mueller, Phys. Chem. Chem. Phys. 1463-9076 5, 2770 (2003). 10.1039/b303260d
14. P. Thaddeus, M. Gúlin, and R. A. Linke, Astrophys. J. 0004-637X 246, L41 (1981). 10.1086/183549
15. D. J. DeFrees, G. H. Loew, and A. D. McLean, Astrophys. J. 0004-637X 254, 405 (1982). 10.1086/159745
16. S. Deguchi, A. Miyazaki, and Y. C. Minh, Publ. Astron. Soc. Jpn. 0004-6264 58, 979 (2006).
17. Y. C. Minh, M. K. Brewer, W. M. Irvine, P. Friberg, and L. E. B. Johansson, Astron. Astrophys. 0004-6361 244, 470 (1991).
18. B. E. Turner, R. Terzieva, and E. Herbst, Astrophys. J. 0004-637X 518, 699 (1999). 10.1086/307300
19. N. Sakai, T. Sakai, Y. Aikawa, and S. Yamamoto, Astrophys. J. 0004-637X 675, L89 (2008). 10.1086/533463
20. B. E. Turner, T. Amano, and P. A. Feldman, Astrophys. J. 0004-637X 349, 376 (1990). 10.1086/168321
21. W. Fock and T. McAllister, Astrophys. J. 0004-637X 257, L99 (1982). 10.1086/183817
22. P. R. Taylor and M. Scarlett, Astrophys. J. 0004-637X 293, L49 (1985). 10.1086/184489
23. M. Scarlett and P. R. Taylor, Chem. Phys. 0301-0104 101, 17 (1986). 10.1016/0301-0104(86)87019-7
24. V. Ramesh, P. Nagi Reddy, R. Srinivas, K. Bhanuprakash, and S. Vivekananda, Chem. Phys. Lett. 0009-2614 443, 216 (2007). 10.1016/j.cplett.2007. 06.095
25. H. -J. Werner, P. J. Knowles, R. Lindh, MOLPRO, Version 2006.1, a package of ab initio programs, see http://www.molpro.net.
26. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 0009-2614 157, 479 (1989). 10.1016/S0009-2614(89)87395-6
27. R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 0009-2614 165, 513 (1990). 10.1016/0009-2614(90)87031-L
28. K. L. Bak, J. Gauss, P. Jorgensen, J. Olsen, T. Helgaker, and J. F. Stanton, J. Chem. Phys. 0021-9606 114, 6548 (2001). 10.1063/1.1357225
29. Y. C. Minh, W. M. Irvine, and L. M. Ziurys, Astrophys. J. 0004-637X 334, 175 (1988). 10.1086/166827
30. K. A. Peterson and T. H. Dunning, J. Chem. Phys. 0021-9606 117, 10548 (2002). 10.1063/1.1520138
31. D. A. Clabo, W. D. Allen, R. B. Remington, Y. Yamaguchi, and H. F. Schaefer, Chem. Phys. 0301-0104 123, 187 (1988). 10.1016/0301-0104(88)87271-9
32. W. D. Allen, Y. Yamaguchi, A. G. Császár, D. A. Clabo, R. B. Remington, and H. F. Schaefer, Chem. Phys. 0301-0104 145, 427 (1990). 10.1016/0301-0104(90)87051-C
33. H. H. Nielsen, Rev. Mod. Phys. 0034-6861 23, 90 (1951). 10.1103/RevModPhys.23.90
34. I. M. Mills, Molecular Spectroscopy: Modern Research (Academic, New York, 1972), p. 115.
35. M. R. Aliev and D. Papoušek, Molecular Vibrational-Rotational Spectra (Elsevier, Amsterdam, 1982).
36. J. K. G. Watson, Vibrational Spectra and Structure (Elsevier, Amsterdam, 1977), Vol. 6, p. 1.
37. W. D. Allen, INTDER2005, a general program which performs sundry vibrational analyses and higher order nonlinear transformations among force field representations.
38. W. D. Allen and A. G. Császár, J. Chem. Phys. 0021-9606 98, 2983 (1993). 10.1063/1.464127
39. Y. Yamaguchi and H. F. Schaefer, ANHARM is a FORTRAN program for VPT2 analysis, Center for Computational Chemistry, University of Georgia, Athens, GA.
40. A. C. Simmonett, F. A. Evangelista, W. D. Allen, and H. F. Schaefer, J. Chem. Phys. 0021-9606 127, 014306 (2007). 10.1063/1.2747241
41. J. J. Wilke, W. D. Allen, and H. F. Schaefer, J. Chem. Phys. 0021-9606 128, 074308 (2008). 10.1063/1.2827133
42. J. F. Stanton, J. Gauss, J. D. Watts, ACESII, Mainz-Austin-Budapest version. For current version see http://www.aces2.de.
43. J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett, Int. J. Quantum Chem., Quantum Chem. Symp. 0161-3642 44 (s26), 879 (1992). 10.1002/qua.560440876
44. +, and a table summarizing the harmonic frequencies, anharmonic correction, and vibrational fundamentals. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
45. M. J. Frisch, H. F. Schaefer, and J. S. Binkley, J. Phys. Chem. 0022-3654 89, 2192 (1985). 10.1021/j100257a011
46. S. Green, H. Schor, P. Siegbahn, and P. Thaddeus, Chem. Phys. 0301-0104 17, 479 (1976). 10.1016/S0301-0104(76)80011-0
47. M. C. McCarthy, W. Chen, M. J. Travers, and P. Thaddeus, Astrophys. J., Suppl. Ser. 0067-0049 129, 611 (2000) (and references therein). 10.1086/313428
48. S. R. Polo, Can. J. Phys. 0008-4204 35, 880 (1957).
49. M. C. McCarthy, M. J. Travers, A. Kovács, C. A. Gottlieb, and P. Thaddeus, Astrophys. J., Suppl. Ser. 0067-0049 113, 105 (1997). 10.1086/313050
50. V. -M. Horneman, R. Anttila, S. Alanko, and J. Pietilä, J. Mol. Spectrosc. 0022-2852 234, 238 (2005). 10.1016/j.jms.2005.09.011
51. S. C. Wang, Phys. Rev. 34, 243 (1929). 10.1103/PhysRev.34.243
52. M. C. McCarthy and P. Thaddeus, J. Chem. Phys. 0021-9606 129, 054314 (2008). 10.1063/1.2960626
53. C. Puzzarini, J. Chem. Phys. 0021-9606 123, 024313 (2005). 10.1063/1.1953367
54. D. Smith and N. G. Adams, J. Phys. Chem. 0022-3654 89, 3964 (1985). 10.1021/j100265a007
55. M. Bogey, C. Demuynck, and J. L. Destombes, Astron. Astrophys. 0004-6361 138, L11 (1984).
56. J. S. Muenter, J. Chem. Phys. 0021-9606 48, 4544 (1968). 10.1063/1.1668024
57. T. J. Millar, N. G. Adams, D. Smith, and D. C. Clary, Mon. Not. R. Astron. Soc. 0035-8711 216, 1025 (1985).
58. O. E. H. Rydbeck, W. H. Irvine, Å. Hjalmarson, G. Rydbeck, E. Elld́r, and E. Kollberg, Astrophys. J. 0004-637X 235, L171 (1980). 10.1086/183184
59. W. H. Irvine, J. C. Good, and F. P. Schloerb, Astron. Astrophys. 0004-6361 127, L10 (1983).
60. F. P. Schloerb, P. Friberg, Å. Hjalmarson, B. Hoglund, and W. H. Irvine, Astrophys. J. 0004-637X 264, 161 (1983). 10.1086/160584
61. S. Thorwirth, personal communication (2008).