Hydrogen-bond vibrations in the S1 ↔ S0 spectra of a nucleobase pair analog: A mixed dimer between 2-pyridone and formamide

Journal of Chemical Physics

Volumn 125, Issue 21, 2006, Pages

  Hazra, Montu K ^a   Samanta, Amit K ^b   Chakraborty, Tapas ^a,b  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; DIMERS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; QUANTUM THEORY; SPECTRUM ANALYSIS;

ELECTRONIC SPECTRA; FORMAMIDES; MIXED DIMER; NUCLEOBASE PAIR; QUANTUM CHEMISTRY;

HYDROGEN BONDS;

EID: 33845391569     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2363993     Document Type: Article

References (31)

1. A. Müller, J. A. Frey, and S. Leutwyler, J. Phys. Chem. A 109, 5055 (2005).
2. J. A. Frey, A. Müller, H. Frey, and S. Leutwyler, J. Chem. Phys. 121, 8237 (2004).
3. A. Müller and S. Leutwyler, J. Phys. Chem. A 108, 6156 (2004).
4. A. Müller, M. Losada, and S. Leutwyler, J. Phys. Chem. A 108, 157 (2004).
5. M. Meuwly, A. Müller, and S. Leutwyler, Phys. Chem. Chem. Phys. 5, 2663 (2003).
6. C. S. Tautermann, A. F. Voegele, and K. R. Liedl, Chem. Phys. 292, 47 (2003).
7. A. Müller, F. Talbot, and S. Leutwyler, J. Am. Chem. Soc. 124, 14486 (2002).
8. A. Müller, F. Talbot, and S. Leutwyler, J. Chem. Phys. 116, 2836 (2002).
9. D. R. Borst, J. R. Roscioli, D. W. Pratt, G. M. Florio, T. S. Zwier, A. Müller, and S. Leutwyler, Chem. Phys. 283, 341 (2002).
10. A. Müller, F. Talbot, and S. Leutwyler, J. Chem. Phys. 115, 5192 (2001).
11. A. Müller, F. Talbot, and S. Leutwyler, J. Chem. Phys. 112, 3717 (2000).
12. Y. Matsuda, T. Ebata, and N. Mikami, J. Chem. Phys. 113, 573 (2000).
13. Y. Matsuda, T. Ebata, and N. Mikami, J. Chem. Phys. 110, 8397 (1999).
14. A. Held and D. W. Pratt, J. Am. Chem. Soc. 115, 9718 (1993).
15. A. Held and D. W. Pratt, J. Am. Chem. Soc. 115, 9708 (1993).
16. A. Held and D. W. Pratt, J. Chem. Phys. 96, 4869 (1992).
17. A. Held and D. W. Pratt, J. Am. Chem. Soc. 112, 8629 (1990).
18. M. R. Nimlos, D. F. Kelley, and E. R. Bernstein, J. Phys. Chem. 93, 643 (1989).
19. H. Urabe, H. Hayashi, Y. Tominaga, Y. Nishimura, K. Kubota, and M. Tsuboi, J. Chem. Phys. 82, 531 (1985).
20. H. Urabe, Y. Sugawara, M. Tsukakoshi, and T. Kasuya, J. Chem. Phys. 95, 5519 (1991).
21. D. Onidas, D. Markovitsi, S. Marguet, A. Sharonov, and T. Gustavsson, J. Phys. Chem. B 106, 11367 (2002).
22. T. Gustavsson, A. Sharonov, and D. Markovitsi, Chem. Phys. Lett. 351, 195 (2002).
23. B. B. Brady, L. A. Peteanu, and D. H. Levy, Chem. Phys. Lett. 147, 538 (1988).
24. A. Held, B. B. Champagne, and D. W. Pratt, J. Chem. Phys. 95, 8732 (1991).
25. A. Das, K. K. Mahato, and T. Chakraborty, J. Chem. Phys. 114, 6107 (2001).
26. G. Varsanyi, Vibrational Spectra of Benzene Derivatives (Academic, New York, 1969).
27. F. Duschinsky, Acta Physicochim. URSS 7, 551 (1937).
28. A. M. Mebel, M. Hayashi, K. K. Liang, and S. H. Lin, J. Phys. Chem. A 103, 10674 (1999).
29. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
30. Q. Li, W. Fang, and J. Yu, J. Phys. Chem. A 109, 3983 (2005).
31. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).