Dissociative photoionization mechanism of 1,8-dihydroxyanthraquinone: An experimental and theoretical study

Journal of Physical Chemistry A

Volumn 112, Issue 43, 2008, Pages 10977-10984

  Pan, Yang ^a   Zhang, Lidong ^a   Guo, Huijun ^a   Qi, Fei ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; DISSOCIATION; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; INFRARED SPECTROSCOPY; ISOMERS; MASS SPECTROMETRY; PHOTOIONIZATION; PHOTONS; POSITIVE IONS; PROTON TRANSFER;

ADIABATIC IONIZATION ENERGIES; APPEARANCE ENERGIES; B3LYP METHODS; BASIS SETS; BOND ROTATIONS; DECARBONYLATION; DEHYDROXYLATION; DISSOCIATIVE PHOTOIONIZATIONS; ENERGY ISOMERS; FRAGMENTATION CHANNELS; HYDROXYL GROUPS; INFRARED LASERS; INTRAMOLECULAR PROTON TRANSFERS; PHOTOIONIZATION EFFICIENCIES; PHOTOIONIZATION MASS SPECTROMETRIES; PHOTON ENERGY RANGES; THEORETICAL CALCULATIONS; VACUUM ULTRAVIOLETS;

IONIZATION;

ANTHRAQUINONE DERIVATIVE; DANTRON; ION;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; INSTRUMENTATION; MASS SPECTROMETRY; METHODOLOGY; PHOTOCHEMISTRY; RADIATION EXPOSURE; SYNCHROTRON; ULTRAVIOLET RADIATION;

ANTHRAQUINONES; COMPUTER SIMULATION; IONS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; SPECTROMETRY, MASS, MATRIX-ASSISTED LASER DESORPTION-IONIZATION; SYNCHROTRONS; ULTRAVIOLET RAYS;

EID: 55949137601     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806171h     Document Type: Article

References (31)

1. Ohkuma, Y.; Hiraku, Y.; Kawanishi, S. Free Radical Res. 2001, 34, 595.
2. Falk, H. Angew. Chem. 1999, 111, 3306.
3. Müller, C.; Schroeder, J.; Troe, J. J. Phys. Chem. B 2006, 110, 19820.
4. Kwon, Y. S.; Koh, J. Y.; Song, D. K.; Kim, H. C.; Kwon, M. S.; Choi, Y. S.; Wie, M. B. Biol. Pharm. Bull. 2004, 27, 723.
5. Ferreiro, M. L.; Rodríguez-Otero, J. J. Mol. Struct. (Theochem) 2001, 542, 63.
6. Arzhantsev, S. Y.; Takeuchi, S.; Tahara, T. Chem. Phys. Lett. 2000, 330, 83.
7. Smulevich, G. J. Chem. Phys. 1985, 82, 14.
8. Smulevich, G.; Foggi, P.; Feis, A.; Marzocchi, M. P. J. Chem. Phys. 1987, 87, 5664.
9. Neuwahl, F. V. R.; Bussotti, L.; Righini, R.; Buntinx, G. Phys. Chem. Chem. Phys. 2001, 3, 1277.
10. Pan, Y.; Gao, Y. H.; Yan, L.; Pan, H.; Chen, J. F.; Yu, S. Q. Spectrochimi. Acta Part A: Mol. Biomol. Spectrom. 2007, 66, 63.
11. Waring, M. J. Annu. Rev. Biochem. 1981, 50, 159.
12. Eriksson, M.; Norden. B.; Eriksson, S. Biochemistry 1988, 27, 8144.
13. Nonaka, Y.; Tsuboi, M.; Nakamoto, K. J. Roman Spectrosc. 1990, 21, 133.
14. Smulevich, G.; foggi, P.; Feis, A.; Marzocchi, M. P. J. Chem. Phys. 1987, 87, 5664.
15. Gillispie, G. D.; Balakrishnan, N.; Vangsness, M. Chem. Phys. 1989, 136, 259.
16. Beynon, J. H.; Williams, A. E. Appl. Spectrosc. 1960, 14, 156.
17. Proctor, C. J.; Kralj, B.; Larka, E. A.; Porter, C. J.; Maquestiau, A.; Beynon, J. H. Org. Mass Spectrom. 1981, 16, 312.
18. Pan, Y.; Zhang, T. C.; Guo, H. J.; Hong, X.; Qi, F. J. Mass Spectrom. 2008, DOI: 10.1002/jms.1465, in press.
19. Pan, Y.; Zhang, T. C.; Hong, X.; Zhang, Y. W.; Sheng, L. S.; Qi, F. Rapid Commun. Mass Spectrom. 2008, 22, 1619.
20. Pan, Y.; Yin, H.; Zhang, T. C.; Guo, H. J.; Sheng, L. S.; Qi, F. Rapid Commun. Mass Spectrom. 2008, 22, 2515.
21. Huang, C. Q.; Yang, B.; Yang, R.; Wang, J.; Wei, L. X.; Shan, X. B.; Sheng, L. S.; Zhang, Y. W.; Qi, F. Rev. Sci. Instrum. 2005, 76, 126108.
22. Qi, F.; Yang, R.; Yang, B.; Huang, C. Q.; Wei, L. X.; Wang, J.; Sheng, L. S.; Zhang, Y. W. Rev. Sci. Instrum. 2006, 77, 084101.
23. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene. M.; Li, X.; Knox, J. E.; Hratchian. H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03 Gaussian, Inc.: Wallingford, CT, 2004.
24. Ortiz, J. V. J. Chem. Phys. 1996, 104, 7599.
25. Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Int. J. Quantum Chem. 2000, 80, 831.
26. Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. J. Am. Chem. Soc. 2000, 122, 12304.
27. Linstrom, P. J.; Mallard, W. J NIST Chemistry Webbook National Institute of Standard and Technology: Gaithersburg, MD, 2005; Number 69, http://webbook.nist.gov.
28. Monks, P. S.; Stief, L. J.; Tardy, D, C.; Zhang, Z. Y.; Kuo, S. C.; Klemm, R. B. J. Phys. Chem. 1995, 99, 16566.
29. Tsunoyama, H.; Misaizu, F.; Ohno, K. J. Phys. Chem. A 2004, 108, 5944.
30. Cheng, B. M.; Chew, E. P.; Liu, C. P.; Yu, J. S. K.; Yu, C. H. J. Chem. Phys. 1999, 111, 10093.
31. Dryza, V.; Addicoat, M. A.; Gascooke, J. R.; Buntine, M. A.; Metha, G. F. J. Phys. Chem. A 2005, 109, 11180.