Probing E/Z isomerization on the C10H8 potential energy surface with ultraviolet population transfer spectroscopy

Journal of the American Chemical Society

Volumn 132, Issue 5, 2010, Pages 1611-1620

  Newby, Josh J ^a   Müller, Christian W ^a   Liu, Ching Ping ^a,b   Zwier, Timothy S ^a  

^a PURDUE UNIVERSITY   (United States)

^b NATIONAL HEALTH RESEARCH INSTITUTES   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COOLING CAPACITY; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC ORIGIN; EXCITED-STATE DYNAMICS; FLUORESCENCE INTENSITIES; FLUORESCENCE QUANTUM YIELD; FLUORESCENCE QUENCHING; INTERNAL CONVERSIONS; ISOMERIC DISTRIBUTIONS; LASER INDUCED FLUORESCENCE; LASER INDUCED FLUORESCENCE SPECTROSCOPY; MINIMUM-ENERGY STRUCTURES; NONRADIATIVE PROCESS; PHOTON IONIZATION; POPULATION TRANSFER SPECTROSCOPIES; REACTION TUBES; SUPERSONIC EXPANSIONS; VIBRONIC LEVELS; ZERO POINT;

DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; EXCITATION ENERGY; EXCITED STATES; FLUORESCENCE; FLUORESCENCE SPECTROSCOPY; GROUND STATE; ISOMERIZATION; ISOMERS; LASER PRODUCED PLASMAS; MULTIPHOTON PROCESSES; NAPHTHALENE; PHOTOIONIZATION; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; ULTRAVIOLET LASERS;

ELECTRON ENERGY LOSS SPECTROSCOPY;

ACETYLENE DERIVATIVE; AROMATIC COMPOUND; NAPHTHALENE DERIVATIVE; PHENYLVINYLACETYLENE; STILBENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; ENERGY; FLUORESCENCE; ISOMER; ISOMERIZATION; PHOTOCHEMISTRY; QUANTUM CHEMISTRY; SPECTROSCOPY; ULTRAVIOLET POPULATION TRANSFER SPECTROSCOPY; ULTRAVIOLET RADIATION; ULTRAVIOLET SPECTROSCOPY;

EID: 76149093551     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja908103u     Document Type: Article

References (49)

1. Bauschlicher, C. W.; Ricca, A. Chem. Phys. Lett. 2000, 326, 283.
2. Filley, J.; McKinnon, J. T. Combust. Flame 2001, 124, 721.
3. Frenklach, M. Phys. Chem. Chem. Phys. 2002, 4, 2028.
4. Goldaniga, A.; Faravelli, T.; Ranzi, E. Combust. Flame 2000, 122, 350.
5. Roesler, J. F.; de Tessan, M. A.; Montagne, X. Chemosphere 2001, 42, 823.
6. Schulz, K.; Hofmann, J.; Zimmermann, G. Liebigs Ann.-Recueil 1997, 2535.
7. Wilson, E. H.; Atreya, S. K. Planet. Space Sci. 2003, 51, 1017.
8. Wilson, E. H.; Atreya, S. K.; Coustenis, A. J. Geophys. Res. [Planets] 2003, 108.
9. Krasnopolsky, V. A. Icarus 2009, 201, 226.
10. Wilson, E. H.; Atreya, S. K. J. Geophys. Res. [Planets] 2004, 109.
11. Atreya, S. Science 2007, 316, 843.
12. Mebel, A. M.; Kislov, V. V.; Kaiser, R. I. J. Am. Chem. Soc. 2008, 130, 13618.
13. Marinov, N. M.; Pitz, W. J.; Westbrook, C. K.; Castaldi, M. J.; Senkan, S. M. Modeling of aromatic and polycyclic aromatic hydrocarbon formation in premixed methane and ethane flames; 4th International Congress on Toxic Combustion Byproducts, Berkeley, CA, 1995.
14. Miller, J. A.; Klippenstein, S. J. J. Phys. Chem. A 2001, 105, 7254.
15. Miller, J. A.; Klippenstein, S. J. J. Phys. Chem. A 2003, 107, 7783.
16. Newby, J. J.; Stearns, J. A.; Liu, C. P.; Zwier, T. S. J. Phys. Chem. A 2007, 111, 10914.
17. Robinson, A. G.; Winter, P. R.; Zwier, T. S. J. Phys. Chem. A 2002, 106, 5789.
18. Hofmann, J.; Schulz, K.; Altmann, A.; Findeisen, M.; Zimmermann, G. Liebigs Ann.-Recueil 1997, 2541.
19. Felker, P. M.; Zewail, A. H. J. Phys. Chem. 1985, 89, 5402.
20. Zwier, T. S.; Carrasquillo, E.; Levy, D. H. J. Chem. Phys. 1983, 78, 5493.
21. Amirav, A.; Jortner, J. Chem. Phys. Lett. 1983, 95, 295.
22. Tahara, T.; Hamaguchi, H. Bull. Chem. Soc. Jpn. 1996, 69, 925.
23. Liu, C. P.; Newby, J. J.; Muller, C. W.; Lee, H. D.; Zwier, T. S. J. Phys. Chem. A 2008, 112, 9454.
24. Newby, J. J.; Liu, C. P.; Muller, C. W.; James, W. H.; Buchanan, E. G.; Lee, H. D.; Zwier, T. S. J. Phys. Chem. A, DOI: 10.1021/jp909243y.
25. Dian, B. C.; Clarkson, J. R.; Zwier, T. S. Science 2004, 303, 1169.
26. Dian, B. C.; Florio, G. M.; Clarkson, J. R.; Longarte, A.; Zwier, T. S. J. Chem. Phys. 2004, 120, 9033.
27. Dian, B. C.; Longarte, A.; Winter, P. R.; Zwier, T. S. J. Chem. Phys. 2004, 120, 133.
28. Selby, T. M.; Clarkson, J. R.; Mitchell, D.; Fitzpatrick, J. A. J.; Lee, H. D.; Pratt, D. W.; Zwier, T. S. J. Phys. Chem. A 2005, 109, 4484.
29. Zwier, T. S. J. Phys. Chem. A 2006, 110, 4133.
30. Clarkson, J. R.; Herbert, J. M.; Zwier, T. S. J. Chem. Phys. 2007, 126, 15.
31. Zwier, T. S. Laser-initiated isomerization in H-bonded solute-solvent complexes; 230th National Meeting of the American Chemical Society, Washington, DC, 2005.
32. Arrington, C. A.; Ramos, C.; Robinson, A. D.; Zwier, T. S. J. Phys. Chem. A 1998, 102, 3315.
33. Bandy, R. E.; Lakshminarayan, C.; Frost, R. K.; Zwier, T. S. J. Chem. Phys. 1993, 98, 5362.
34. Frost, R. K.; Zavarin, G. S.; Zwier, T. S. J. Phys. Chem. 1995, 99, 9408.
35. Stearns, J. A.; Zwier, T. S.; Kraka, E.; Cremer, D. Phys. Chem. Chem. Phys. 2006, 8, 5317.
36. Michel, P.; Gennet, D.; Rassat, A. Tetrahedron Lett. 1999, 40, 8575.
37. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
38. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
39. Frisch, M. J.; Gaussian 03, revision E.01; Gaussian, Inc.: Wallingford, CT, 2004. The full reference is given in the Supporting Information.
40. Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem. 1992, 96, 135.
41. Eade, R. H. A.; Robb, M. A. Chem. Phys. Lett. 1981, 83, 362.
42. Peng, C. Y.; Ayala, P. Y.; Schlegel, H. B.; Frisch, M. J. J. Comput. Chem. 1996, 17, 49.
43. Peng, C. Y.; Schlegel, H. B. Isr. J. Chem. 1993, 33, 449.
44. Population transfer at the electronic origin of Z-PVA was confirmed by specifically probing that transition in lieu of a full scan near the electronic origin transition.
45. To make quantitative comparisons to the UVPT spectra, the UVD spectra were retaken under ionization condition and have been found to be nearly identical to those acquired under fluorescence conditions.
46. Taylor, J. T. An Introduction to Error Analysis: The Study of Uncertainties in Physical Measurements; University Science Books: Sausalito, 1996.
47. Beck, S. M.; Powers, D. E.; Hopkins, J. B.; Smalley, R. E. J. Chem. Phys. 1980, 73, 2019.
48. Alvarez-Valtierra, L.; Yi, J. T.; Pratt, D. W. J. Phys. Chem. A 2009, 113, 2261.
49. Dyakov, Y. A.; Ni, C. K.; Lin, S. H.; Lee, Y. T.; Mebel, A. M. J. Phys. Chem. A 2005, 109, 8774.