The dipeptide cyclic(glycyltryptophanyl) in the gas phase: A concerted action of density functional calculations, S0-S1 two-photon ionization, spectral UV/UV hole burning and laser photoelectron spectroscopy

Physical Chemistry Chemical Physics

Volumn 6, Issue 10, 2004, Pages 2641-2649

  Wiedemann, Sascha ^a   Metsala, Andrus ^a,b   Nolting, Dirk ^a   Weinkauf, Rainer ^a  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b TALLINN UNIVERSITY OF TECHNOLOGY   (Estonia)

Author keywords

[No Author keywords available]

Indexed keywords

DIPEPTIDE; GLYCYLTRYPTOPHAN; HYDROGEN; NITROGEN; SKATOLE; SULFUR; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; ELECTROSPRAY MASS SPECTROMETRY; ENERGY TRANSFER; ENERGY YIELD; GAS; IONIZATION; LASER; MOLECULAR INTERACTION; MOLECULAR STABILITY; PHASE TRANSITION; STRUCTURE ANALYSIS; ULTRAVIOLET SPECTROSCOPY; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 3042656748     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b316185d     Document Type: Article

References (43)

1. Structural Analysis of Biological Molecules, ed. E. Williams and V. Wysocki, Int. J. Mass Spectrom. Ion Processes, 2002, 219, No 1.
2. E. G. Robertson and J. P. Simons, Phys. Chem. Chem. Phys., 2001, 3, 1.
3. M. S. De Vries, Rev. Anal. Chem., 2000, 19, 269.
4. R. Weinkauf, J. P. Schermann, M. S. de Vries and K. Kleinermanns, Eur. Phys. J. D., 2002, 20, 309.
5. J. R. Cable, M. J. Tubergen and D. H. Levy, J. Am. Chem. Soc., 1988, 110, 7349.
6. J. R. Cable, M. J. Tubergen and D. H. Levy, Faraday Discuss. Chem. Soc., 1988, 86, 143.
7. R. Cohen, B. Brauer, E. Nir, L. Grace and M. de Vries, J. Phys. Chem., A, 2000, 104, 6351.
8. I. Hünig, K. A. Seefeld and K. Kleinermanns, Chem. Phys. Lett., 2003, 369, 173.
9. U. Boesl, J. Grotemeyer, K. Walter and E. W. Schlag, Adv. Mass Spectrom., 1986, 10b, 985.
10. R. Tembreull and D. M. Lubman, Anal. Chem., 1987, 59, 1003.
11. J. Grotemeyer and E. W. Schlag, Org. Mass Spectrom., 1988, 23, 388.
12. D. Gross and G. Grodsky, J. Am. Chem. Soc., 1954, 77, 1678.
13. D. S. Nagra, J.-Y. Zhang and L. Li, Anal. Chem., 1991, 63, 2193.
14. B. C. Dian, A. Longarte and T. S. Zwier, Science, 2002, 296, 2369.
15. C. Unterberg, A. Gerlach, T. Schrader and M. Gerhards, J. Chem. Phys., 2002, 118, 8296.
16. K. Müller-Dethlefs, M. Sander and E. W. Schlag, Chem. Phys. Lett., 1984, 112, 292.
17. L. Zhu and P. Johnson, J. Chem. Phys., 1991, 94, 5769.
18. R. Weinkauf, F. Lehrer, E. W. Schlag and A. Metsala, Faraday Discuss., 2000, 115, 363.
19. X. Song, C. W. Wilkerson, J. Lucia, S. Pauls and J. P. Reilly, Chem. Phys. Lett., 1990, 174, 377.
20. M. Takahashi and K. Kimura, J. Chem. Phys., 1992, 97, 2920; R. Liu and X. Zhou, J. Chem. Phys., 1993, 98, 5108; M. Takahashi and K. Kimura, J. Chem. Phys., 1993, 98, 5109.
21. M. Takahashi and K. Kimura, J. Chem. Phys., 1992, 97, 2920; R. Liu and X. Zhou, J. Chem. Phys., 1993, 98, 5108; M. Takahashi and K. Kimura, J. Chem. Phys., 1993, 98, 5109.
22. M. Takahashi and K. Kimura, J. Chem. Phys., 1992, 97, 2920; R. Liu and X. Zhou, J. Chem. Phys., 1993, 98, 5108; M. Takahashi and K. Kimura, J. Chem. Phys., 1993, 98, 5109.
23. X. Song, E. R. Davidson, S. R. Gwaltney and J. P. Reilly, J. Chem. Phys., 1994, 100, 5411.
24. C. H. Dessent, W. D. Geppert, S. Ullrich and K. M. Müller-Dethlefs, Chem. Phys. Lett., 2000, 319, 375.
25. S. Ullrich, W. D. Geppert, C. E. H. Dessent and K. Müller-Dethlefs, J. Phys. Chem., 2000, 104, 11 864.
26. S. Ullrich, G. Tarczay, X. Tong, C. E. H. Dessent and K. Müller-Dethlefs, Phys. Chem. Chem. Phys., 2001, 3, 5450.
27. S. Ullrich, G. Tarczay, X. Tong, C. E. H. Dessent and K. Müller-Dethlefs, Angew. Chem. Int. Ed. Engl., 2002, 41, 166.
28. A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
29. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle and J. A. Pople, Gaussian98, Revision A.7, Gaussian Inc., Pittsburgh PA, 1998.
30. J. W. Ponder, Programm TINKER, version 3.8, 2000, http://dasher.wustl. edu/tinker/.
31. R. V. Pappu, R. K. Hart and J. W. Ponder, J. Phys. Chem. B, 1998, 102, 9725.
32. N. L. Allinger, Y. H. Yuh and J.-H. Lii, J. Am. Chem. Soc., 1989, 111, 8551.
33. W. L. Jorgensen, D. S. Maxwell and J. Tirado-Rives, Am. Chem. Soc., 1996, 117, 11 225.
34. R. S. Ruoff, T. D. Klots, T. Emilsson and H. S. Gutowsky, J. Chem. Phys., 1990, 93, 3142.
35. R. Weinkauf, P. Schanen, D. Yang, S. Soukara and E. W. Schlag, J. Phys. Chem., 1995, 99, 11 255.
36. T. L. O. Bartis, L. I. Grace, T. M. Dunn and D. M. Lubman. J. Phys. Chem., 1993, 97, 5820.
37. T. R. Hays, W. E. Henke, H. L. Selzle and E. W. Schlag, Chem. Phys. Lett., 1983, 97, 347.
38. J. B. Hopkins, D. E. Powers and R. E. Smalley, J. Chem. Phys., 1980, 72, 5039-5049.
39. R. J. Lipert and S. D. Colson, J. Phys. Chem., 1989, 93, 3894.
40. F. Lehrer, R. Weinkauf and A. Metsala, in preparation.
41. T. Vondrák, S-i Sato and K. Kimura, J. Phys. Chem., A, 1997, 101, 2384.
42. J. W. Hager and S. C. Wallace, Anal. Chem., 1988, 60, 5.
43. F. Lehrer and R. Weinkauf, unpublished results.