Observation of electronic spectra of three isomers of 2,6-difluoropyridine-water clusters

Journal of Physical Chemistry A

Volumn 107, Issue 12, 2003, Pages 1945-1954

  Nibu, Yoshinori ^a   Okabe, Chie ^a,b   Shimada, Hiroko ^a  

^a FUKUOKA UNIVERSITY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; FLUORESCENCE; FLUORINE; FLUORINE COMPOUNDS; GROUND STATE; HYDROGEN; HYDROGEN BONDS; JETS; NITROGEN; POSITIVE IONS; WATER;

AB INITIO MOLECULAR ORBITAL CALCULATIONS; AROMATIC HYDROGEN; DIFLUOROPYRIDINE; ELECTRONIC SPECTRA; HYDROGEN BONDED CLUSTERS; SUPERSONIC FREE JET; WATER HYDROGEN; WATER OXYGEN;

ISOMERS;

EID: 0038062617     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021897k     Document Type: Article

References (37)

1. Villa, E.; Amirav, A.; Lim, E. C. J. Phys. Chem. 1988, 92, 5393.
2. Becucci, M.; Lakin, N. M.; Pietraperzia, G.; Salvi, P. R.; Castellucci, E.; Kerstel, E. R. Th. J. Chem. Phys. 1997, 107, 10399.
3. Hager, J.; Wallace, S. C. J. Phys. Chem. 1985, 89, 3833.
4. Kryachko, E. S.; Nakatsuji, H. J. Phys. Chem. A 2002. 106, 731 and references therein.
5. Felker, P. M.; Zewail, A. H. Chem. Phys. Lett. 1983, 94, 448.
6. Felker, P. M.; Zewail, A. H. Chem. Phys. Lett. 1983, 94, 454.
7. Wanna, J.; Bernstein, E. R. J. Chem. Phys. 1987, 86, 6707.
8. Mitsui, M.; Ohshima, Y.; Ishiuchi, S.; Sakai, M.; Fujii, M. Chem. Phys. Lett. 2000, 317, 211.
9. Barth, H. D.; Buchhold, K.; Djafari, S.; Reimann, B.; Lommatzsch, U.; Brutschy, B. Chem. Phys. 1998, 239, 49.
10. Brenner, V.; Martrenchard-Barra, S.; Millie, P.; Dedonder-Lardeaux, C.; Jouvet, C.; Solgadi, D. J. Phys. Chem. 1995, 99. 5848.
11. Tarakeshwar, P.: Kim, K. S.; Brutschy, B. J. Chem. Phys. 1999, 110, 8501.
12. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. F.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
13. (a) Kim, K. S.; Lee, J. Y.; Choi, H. S.; Kim, J.; Jang, J. H. Chem. Phys. Lett. 1997, 265, 497.
14. (b) Courty, A.; Mons, M.; Dimicoli, I.; Piuzzi, F.; Gaigeot, M. P.; Brenner, V.; Pujo, P.; Mille, P. J. Chem. Phys. A 1998, 102, 6590.
15. (c) Tachikawa, H.; Igarashi, M. J. Phys. Chem. A 1998, 102, 8648.
16. (a) Dkhissi, A.; Adamowicz, L.; Maes, G. J. Phys. Chem. A 2000, 104, 2112.
17. (b) Papai, I.; Jancso, G. J. Phys. Chem. A 2000, 104, 2132.
18. (c) Schlucker, A.; Singh, R. K.; Asthana, B. P.; Popp, J.; Kieferr, W. J. Phys. Chem. A 2001, 105, 1983.
19. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
20. Nibu, Y.; Sakamoto, D.; Satoh, T.; Shimada, H. Chem. Phys. Lett. 1996, 262, 615.
21. (a) Medhi, K. C. Indian J. Phys., B 1987, 61, 62.
22. (b) Medhi, K. C.; Medhi, R. N. Spectrochimica Acta, Part A 1990, 46, 1169.
23. (c) Medhi, K. C. Spectrochimica Acta, Part A 1986, 42, 1393.
24. (d) Medhi, K. C.; Medhi, R. N. Spectrochimica Acta, Part A 1990, 46, 1333.
25. Bondybey, V. E.; English, J. H.; Shiley, R. H. J. Chem. Phys. 1982, 77, 4826.
26. (a) Bailey, R. T.; Steele, D. Spectrochimica Acta, Part A 1967, 23, 2997.
27. (b) Green, J. H. S.; Harrison, D. J.; Kipps, M. R. Spectrochimica Acta, Part A 1973, 29, 1177.
28. (c) Lui, S.; Suzuki, S.; Ladd, J. A. Spectrocimica Acta, Part A 1978, 34, 583.
29. Wilson, E. B.; Decius, J. C.; Cross P. C. Molecular Vibrations; Dover: New York, 1980.
30. Li, S.; Bernstein, E. R. J. Chem. Phys. 1992, 97, 804.
31. Maeyama, T.; Mikami, N. J. Phys. Chem. 1991, 95, 7197.
32. Okabe, C.; Ohsaki, T.; Miyawaki, H.; Nibu, Y.; Shimada, H. To be submitted for publication.
33. Okyuyama, K.; Kakinuma, T.; Fujii, M.; Mikami, N.; Ito, M. J. Phys. Chem. 1986, 90, 3948.
34. Tsukamoto, K.; Nibu, Y.; Shimada, H. To be submitted for publication.
35. (a) Abe, H.; Mikami, N.; Ito, M.; Udagawa, Y. J. Phys. Chem. 1982, 86, 2567.
36. (b) Schütz, M.; Bürgi, T.; Leutwyler, S. J. Chem. Phys. 1993, 98, 3763.
37. Dopfer, O.; Müller-Dethlefts, K. J. Chem. Phys. 1994, 101, 8508.