Vibrational Spectrum of Pyridazine

Journal of Raman Spectroscopy

Volumn 29, Issue 6, 1998, Pages 547-559

  Vázquez, Juana ^a   Gozález, Juan Jesus López ^a   Marquez F ^a   Boggs, James E ^a,b  

^a UNIVERSITY OF JAÉN   (Spain)

^b The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; GASES; PYRIDINE; VIBRATIONAL SPECTRA;

CHEMISTRY DEPARTMENTS; DEPOLARIZATION RATIO; GAS-PHASES; INFRARED SPECTRUM; IR SPECTRUM; POLYCRYSTALLINE FILM; PURE LIQUIDS; PYRIDAZINE; THEORETICAL CHEMISTRY; UNIVERSITY OF TEXAS;

CHLORINE COMPOUNDS;

EID: 0041931693     PISSN: 03770486     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-4555(199806)29:6<547::AID-JRS280>3.0.CO;2-0     Document Type: Article

References (80)

1. R. Fausto (Ed.), Recent Experimental and Computational Advances in Molecular Spectroscopy. Kluwer, Dordrecht (1995).
2. (a) E. B. Wilson, J. C. Decius and P. C. Cross, Molecular Vibrations. McGraw-Hill, New York (1955);
3. (b) G. Zerbi, in Vibrational Spectroscopy: Modern Trends, edited by A. J. Barnes and M. J. Orville-Thomas. Elsevier, Amsterdam (1977) ;
4. S. Califano, Vibrational States. WileyInterscience, London (1976);
5. G. Herzberg, Molecular Spectra and Molecular Structure, Vol. II. Van Nostrand, New York (1945).
6. (a) J. H. Schachtscheneider and R. G. Snyder; Spectrochim. Acta 19, 117 (1963);
7. (b) T. Simanouchi, Computer Programs for Normal Coordinate Treatment of Polyatomic Molecules. University of Tokyo, Tokyo (1968).
8. J. Russel Thomas, B. J. DeLeeuw, G. Vacek, T. D. Crawford, Y. Yamaguchi and H. F. Schaefer, III, J. Chem. Phys. 99, 403 (1993).
9. (a) P. Pulay and W. Meyer, Mol. Spectrosc. 40, 59 (1971);
10. (b) P. Pulay and W. Meyer, Mol. Phys. 27, 473 (1974).
11. P. Pulay, G. Fogarasi, F. Pang and J. E. Boggs, J. Am. Chem. Soc. 101, 2550 (1979).
12. F. Fogarasi and P. Pulay, in Vibrational Spectra and Structure, edited by J. R. Durig, Vol. 14, p. 125. Elsevier, Amsterdam (1985).
13. P. Pulay and G. Fogarasi, J. Chem. Phys. 74, 3999 (1981).
14. P. Pulay, G. Fogarasi, G. Pongor, J. E. Boggs and A. Vargha, J. Am. Chem. Soc. 105, 7073 (1983).
15. (a) J. A. Joule and G. F. Smith, Heterocyclic Chemistry, 2nd edn. Van Nostrand, Wokingham (1987);
16. (b) R. H. Linnell, J. Chem. Phys. 34, 698 (1961).
17. C. H. Hassall, W. H. Johnson and C. J. T. Theobald, J. Chem. Soc., Parkin Trans. 1 1451 (1979).
18. (a) T. Shiroza, N. Ebisawa, K. Furihata, T. Eudo, H. Seto and N. Otake, Agric. Biol. Chem. 46, 865 (1982);
19. (b) T. Shiroza, N. Ebisawa, A. Kojima, K. Furihata, A. Shimazu, T. Eudo,
20. T. Shiroza, N. Ebisawa, K. Furihata, T. Eudo, H. Seto and N. Otake, Agric. Biol. Chem. 46, 1891 (1982);
21. C. H. Huang and S. T. Crooke, Cancer Res. 45, 3768 (1985);
22. (e) J. Gries, J. Schuster, H. Giertz, H. D. Lehmann, D. Lenke and W. Wortstmann, Arzneim.-Forsch. 31, 1533 (1981);
23. (f) H. D. Lehmann, H. Giertz, R. Kretzschmar, D. Lenke, G. Phillipsborn, M. Raschack and J. Schuster, Arzneim.-Forsch. 31, 1544 (1981);
24. (g) D. Lenke, J. Gries and R. Kretzschmar, Arzneim.Foisch. 31, 1558 (1981).
25. (a) N. V. Karapetyan, M. G. Rakhimberdieva, E. Lehoczki and A. A. Krasnovskii, Biokhimiya (Moscow) 46, 2082 (1981);
26. (b) J. Kosáry, G. Szilágyi, P. Mátyus, K. Csakó and E. Kasztreiner, Acta Pharm. Hung. 53, 106 (1983);
27. Z. P. Gribova, A. N. Tikhonov, L. A. Postnov, I. Kirbe and N. N. Zoz, Biofizika 30, 1035 (1985);
28. V. Konečny, S. Kovač and S. Varkonda, Chem. Zvesti 38, 239 (1984);
29. (e) V. Konečny, S. Kovač and S. Varkonda, Collect. Czech. Chem. Commun. 50, 492 (1985);
30. (f) V. Konečny, S. Kovač and S. Varkonda, Chem. Zvesti 39, 513 (1985);
31. (g) T. Ito, A. Hosono, H. Tachibana and K. Nitanai, Nippon Nogei Kagaku Kaishi 57, 445 (1983).
32. A. A. Yemia, N. L. Doss and M. N. Ismail, Angew. Makromol. Chem. 168, 1 (1989).
33. M. P. Burrow, G. W. Gray, D. Lacey and K. J. Toyne, Z. Chem. 26, 21 (1986).
34. M. Tisler and B. Stanovnik, Adv. Heterocycl. Chem. 49, 385 (1990).
35. H. Kim and H. F. Hameka, J. Am. Chem. Soc. 85, 1398 (1963).
36. J. R. De la Vega and H. F. Hameka, J. Am. Chem. Soc. 85, 3504 (1963).
37. C. A. Coulson, J. Chem. Soc. 5893 (1963).
38. W. Werner, H. Dreizier and H. D. Rudolph, Z. Naturforcsh. 22, 531 (1967).
39. A. Almenningen, G. Biornsen, T. Ottersen, R. Seip and T. G. Strand, Acta Chem. Scand., Ser. A 31, 63 (1977).
40. S. Cradock, CH. Purves and D. W. H. Rankin, J. Mol. Struct. 220, 193 (1990).
41. A. J. Blake and D. W. H. Rankin, Acta Crystallogr., Sect. C 47, 1933 (1991).
42. K. B. Wiberg, D. Nakaji and C. M. Breneman, J. Am. Chem. Soc. 111, 4178 (1989).
43. M. H. Palmer and I.C. Walker, Chem. Phys. 157, 187 (1991).
44. (a) R. Ditchfield, W. J. Hehre and J. A. Pople, J. Phys. Chem. 54, 724 (1971);
45. (b) W. J. Hehre, R. Ditchfield and J. A. Pople, J. Phys. Chem. 56, 2257 (1972);
46. P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973).
47. W. J. Hehre, L. Radom, P. v. R. Schleyer and J. A. Pople, Ab initio Molecular Orbital Theory. Wiley, New York (1986).
48. A. R. Berces, P. G. Szalay, I. Magdo, G. Fogarasi and G. Pongor, J. Phys. Chem. 97, 1356 (1993).
49. P. Pulay, in Applications of Electronic Structure Theory, edited by H. F. Schaefer, III, Vol. 4, p. 153. Plenum Press, New York (1977).
50. J. M. L. Martin and C. Van Alsenoy, J. Phys. Chem. 100, 6973 (1996).
51. (a) C. Lee, W. Yang and R. G. Parr, Phys. Rev. B 37, 785
52. T. H. Dunning, Jr, J. Chem. Phys. 90, 1007 (1989).
53. M, Ito, R. Shimada, T. Kurashi and W. Mizushima, J. Chem. Phys. 25, 597 (1956).
54. R. C. Lord, A. L. Marston and F. A. Miller, Spectrochim, Acta 9, 113 (1957).
55. V. I. Berezin, Opt. Spectrosc. 18, 17 (1965).
56. H. D. Stidham and J. V. Tucci, Spectrochim. Acta, Part A 23, 2233 (1967).
57. A. D. Jordan and C. S. Parmenter, Chem. Phys. Lett. 16, 437 (1972).
58. P. J. Chappel and I. G. Ross, J. Mol. Spectrosc. 66, 192 (1977).
59. M. Fernández, J. J. López, A. Cardenete and J. F. Arenas, J. Mol. Struct. 142, 33 (1986).
60. Y. Ozono, Y. Nibu, H. Shimada and R. Shimada, Bull. Chem. Soc. Jpn. 59, 2997 (1986).
61. K. K. Innes, I. G. Ross and W. R. Moomaw, J. Mol. Spectrosc. 132, 492 (1988).
62. J. F. Arenas, J. T. López-Navarrete, J. I. Marcos and J. J. Romero, Opt. Pura Apl. 22, 103 (1989).
63. K. Kuczera and R. Czerminski, J. Mol. Struct. 105, 269 (1983).
64. K. Kuczera, J. Mol. Struct. 160, 159 (1987).
65. K. G. Wiberg, J. Mol. Struct. 244, 61 (1990).
66. F. Billes and H. Mikosch, J. Mol. Struct. 349, 409 (1995).
67. J. S. Binkley, J. A. Pople and W. J. Hehre, J. Am. Chem. Soc. 102, 939 (1980).
68. K. B. Lipkowitz and D. B. Boyd (Eds), Reviews in Computational Chemistry, Vol. 2. VCH, New York (1991).
69. S. L. Altmann, Bond Theory of Solids: an Introduction from the Point of View of Symmetry. McGraw-Hill, New York (1994).
70. (a) S. Bhagavantum and T. Venkatarayudu, Proc. Indian Acad. Sci., Sect. A 9, 224 (1939);
71. (b) S. Bhagavantum, Proc. Indian Acad. Sci., Sect. A 13, 543 (1941).
72. (a) R. S. Halford, J. Chem. Phys. 14, 8 (1946);
73. (b) D. F. Hornig, J. Chem. Phys. 16, 1063 (1948).
74. J. P. Mathieu, Spectres de Vibration et Symetrie. Herman, Paris (1945).
75. M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C, Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart and J. A. Pople, Gaussian 92, Revision E.3. Gaussian, Pittsburgh, PA (1992).
76. L. Hedberg and I. M. Mills, J. Mol. Spectrosc. 160, 117 (1993).
77. F. Milani-Nejad and H. D. Stidham, Spectrochim. Acta, Part A 31, 1433 (1975).
78. L. Bokobza-Sebagh and J. Zarembowitch, Spectrochim. Acta, Part A 32, 797 (1976).
79. J. F. Arenas, J. T. López Navarrete, J. C. Otero, J. I. Marcos and A. Cardenete, J. Chem. Soc., Faraday Trans. 2 405 (1985).
80. G. J. Kearley, J. Tómkinson, A. Navarro, J. J. López González and M. Fernández Gomez, Chem. Phys. 216, 323 (1997).