IR/UV spectroscopy on jet cooled 3-hydroxyflavone (H2O) n (n=1,2) clusters along proton transfer coordinates in the electronic ground and excited states

Journal of Chemical Physics

Volumn 129, Issue 23, 2008, Pages

  Bartl, K ^a,b   Funk, A ^a,b   Gerhards, M ^a,b  

^a Rheinland Pfälzische Technische Universität Kaiserslautern Landau   (Germany)

^b HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL REACTIONS; DENSITY FUNCTIONAL THEORY; EXCITED STATES; ISOMERS; PROBABILITY DENSITY FUNCTION; PROTONS; STRETCHING;

ELECTRONIC GROUNDS; ELECTRONICALLY EXCITED STATES; EXCESS ENERGIES; FINGERPRINT REGIONS; IR SPECTRUM; OH STRETCHING VIBRATIONS; STABLE ISOMERS; STRUCTURAL INFORMATIONS; SUPERSONIC JETS; TAUTOMERIC FORMS; TRANSFER REACTIONS; TRANSFER STRUCTURES; WATER MOLECULES;

PROTON TRANSFER;

3 HYDROXYFLAVONE; 3-HYDROXYFLAVONE; FLAVONOID; PROTON; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMISTRY; ELECTRON; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; TEMPERATURE; ULTRAVIOLET SPECTROPHOTOMETRY;

ELECTRONS; FLAVONOIDS; PROTONS; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET; TEMPERATURE; WATER;

EID: 57849093999     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3037023     Document Type: Article

References (38)

1. R. H. Page, Y. R. Shen, and Y. T. Lee, J. Chem. Phys. 0021-9606 10.1063/1.453775 88, 4621 (1988).
2. C. Riehn, C. Lahmann, B. Wassermann, and B. Brutschy, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85798-F 197, 443 (1992).
3. S. Tanabe, T. Ebata, M. Fujii, and N. Mikami, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)85726-5 215, 347 (1993).
4. T. S. Zwier, Annu. Rev. Phys. Chem. 0066-426X 10.1146/annurev.physchem. 47.1.205 47, 205 (1996).
5. M. Gerhards, C. Unterberg, and A. Gerlach, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b208304c 4, 5563 (2002).
6. T. Walther, H. Bitto, T. K. Minton, and J. R. Huber, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)01224-5 231, 64 (1994).
7. T. Ebata, N. Mizuochi, T. Watanabe, and N. Mikami, J. Phys. Chem. 100, 546 (1996).
8. M. Gerhards, M. Schiwek, C. Unterberg, and K. Kleinermanns, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)01152-X 297, 515 (1998).
9. C. A. Southern, D. H. Levy, G. M. Florio, A. Longarte, and T. S. Zwier, J. Phys. Chem. A 1089-5639 10.1021/jp027041x 107, 4032 (2003).
10. K. Sengupta and M. Kasha, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(79)87221-8 68, 382 (1979).
11. M. Itoh and H. Kurokawa, Chem. Phys. Lett. 0009-2614 10.1016/0009- 2614(82)83096-0 91, 487 (1982).
12. A. Ito, Y. Fujiwara, and M. Itoh, J. Phys. Chem. 96, 7474 (1992). 0022-3654
13. N. P. Ernsting and B. Dick, J. Chem. Phys. 136, 181 (1989) 0021-9606; A. Mühlpfordt, T. Bultmann, N. P. Ernsting, and B. Dick, Chem. Phys. 0301-0104 10.1016/0301-0104(93)E0448-5 181, 447 (1994).
14. M. Itoh, Pure Appl. Chem. 0033-4545 10.1351/pac199365081629 65, 1629 (1993).
15. G. A. Brucker and D. F. Kelley, J. Phys. Chem. 0022-3654 10.1021/j100324a025 92, 3805 (1988).
16. A. Slenczka, personal communication (2007).
17. J. M. Dawes and S. C. Wallace, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)89085-V 208, 335 (1993).
18. R. Takasu, Y. Fujiwara, and M. Itoh, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)E1418-G 217, 478 (1994).
19. B. J. Schwartz, L. A. Peteanu, and C. B. Harris, J. Phys. Chem. 0022-3654 10.1021/j100188a009 96, 3591 (1992).
20. K. Bartl, A. Funk, K. Schwing, H. Fricke, G. Kock, H. -D. Martin, and M. Gerhards, Phys. Chem. Chem. Phys. 1463-9076 (to be published).
21. Y. Matsumoto, T. Ebata, and N. Mikami, J. Phys. Chem. A 1089-5639 10.1021/jp0201128 106, 5591 (2002).
22. A. Bach and S. Leutwyler, J. Chem. Phys. 0021-9606 10.1063/1.480548 112, 560 (2000).
23. C. Tanner, C. Manca, and S. Leutwyler, Science 0036-8075 10.1126/science.1091708 302, 1736 (2003).
24. C. Manca, C. Tanner, and S. Leutwyler, Int. Rev. Phys. Chem. 0144-235X 10.1080/01442350500390912 24, 457 (2005).
25. C. Tanner, C. Manca, and S. Leutwyler, J. Chem. Phys. 0021-9606 10.1063/1.1924410 122, 204326 (2005).
26. C. Tanner, M. Thut, A. Steinlin, C. Manca, and S. Leutwyler, J. Phys. Chem. A 1089-5639 10.1021/jp056151b 110, 1758 (2006).
27. K. Sakota, Y. Komoto, M. Nakagaki, W. Ishikawa, and H. Sekiya, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2006.12.045 435, 1 (2007).
28. K. Sakota, N. Inoue, Y. Komoto, and H. Sekiya, J. Phys. Chem. A 1089-5639 10.1021/jp070359a 111, 4596 (2007).
29. K. Sakota, Y. Kageura, and H. Sekiya, J. Chem. Phys. 0021-9606 10.1063/1.2961031 129, 054303 (2008).
30. A. Hara, K. Sakota, M. Nakagaki, and H. Sekiya, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2005.03.032 407, 30 (2005).
31. T. B. C. Vu, I. Kalkman, W. L. Meerts, Y. N. Svartsov, C. Jacoby, and M. Schmitt, J. Chem. Phys. 0021-9606 10.1063/1.2928637 128, 214311 (2008).
32. M. Gerhards and C. Unterberg, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b110029g 4, 1760 (2002); M. Gerhards, C. Unterberg, and A. Gerlach, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b208304c 4, 5563 (2002).
33. C. Unterberg, A. Jansen, and M. Gerhards, J. Chem. Phys. 0021-9606 10.1063/1.1315610 113, 7945 (2000).
34. M. Gerhards, Opt. Commun. 0030-4018 10.1016/j.optcom.2004.07.035 241, 493 (2004).
35. R. Ahlrichs, M. Bär, M. Häser, H. Horn, and C. Kölmel, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(89)85118-8 162, 165 (1989); O. Treutler and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.469408 102, 346 (1995); R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(96)00440-X 256, 454 (1996).
36. Additional material available from the authors on request.
37. NIST Computational Chemistry Data Base, http://cccbdb.nist.gov/default. htm
38. H. Fricke, K. Bartl, A. Funk, A. Gerlach, and M. Gerhards, ChemPhysChem 1439-4235 10.1002/cphc.200800499 9, 2592 (2008).