Limonene: Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(i) photoelectron spectroscopy and ab initio calculations

Physical Chemistry Chemical Physics

Volumn 14, Issue 6, 2012, Pages 2056-2064

  Smialek M A ^a   Hubin Franskin, M J ^b   Delwiche, J ^b   Duflot, D ^c   Mason, N J ^d   Vronning Hoffmann S ^e   De Souza, G G B ^f   Ferreira Rodrigues, A M ^f   Rodrigues, F N ^f   Limao Vieira P ^g  

^a GDANSK UNIVERSITY OF TECHNOLOGY   (Poland)

^b UNIVERSITY OF LIÈGE   (Belgium)

^c UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^d OPEN UNIVERSITY   (United Kingdom)

^e AARHUS UNIVERSITY   (Denmark)

^f FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^g UNIVERSIDADE NOVA DE LISBOA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOHEXENE DERIVATIVE; HELIUM; LIMONENE; TERPENE;

ABSORPTION; ARTICLE; CHEMISTRY; ELECTRON; PHOTOLYSIS; QUANTUM THEORY; ULTRAVIOLET RADIATION; VACUUM; X RAY PHOTOELECTRON SPECTROSCOPY;

ABSORPTION; CYCLOHEXENES; ELECTRONS; HELIUM; PHOTOELECTRON SPECTROSCOPY; PHOTOLYSIS; QUANTUM THEORY; TERPENES; ULTRAVIOLET RAYS; VACUUM;

EID: 84856695956     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c2cp22847e     Document Type: Article

References (40)

1. H. P. Singh D. R. Batish S. Kaur K. Arora R. K. Kohli Ann. Bot. 2006 98 1261 1269
2. J. Schween R. Dlugi C. Hewitt P. Foster Atmos. Environ. 1997 31 199 215
3. W. Russin J. Hoesly C. Elson M. Tanner M. Gould Carcinogenesis 1989 10 2161 2164
4. P. Brint E. Meshulam A. Gedanken Chem. Phys. Lett. 1984 109 383 387
5. G. Garcia L. Nahon I. Powis Int. J. Mass Spectrom. 2003 225 261 270
6. B. Jansik A. Rizzo L. Frediani K. Ruud S. Coriani J. Chem. Phys. 2006 125 1 9
7. F. Partal Urena J. R. Aviles Moreno J. J. Lopez Gonzalez Tetrahedron: Asymmetry 2009 20 89 97
8. G. Schaftenaar J. Noordik J. Comput.-Aided Mol. Des. 2000 14 123 134
9. S. Eden P. Limao-Vieira S. Hoffmann N. Mason Chem. Phys. 2006 323 313 333
10. N. Mason J. Gingell J. Davies H. Zhao I. Walker M. Siggel J. Phys. B: At., Mol. Opt. Phys. 1996 29 3075 3089
11. W. Chan G. Cooper C. Brion Phys. Rev. A 1991 44 186 204
12. M. Inokuti Rev. Mod. Phys. 1971 43 297 347
13. G. G. B. de Souza A. C. de A de Souza J. Phys. E: Sci. Instrum. 1985 18 1037 1039
14. C. Bielschowsky C. Lucas G. de Souza J. Nogueira Phys. Rev. A 1991 43 5975 5979
15. A. Msezane I. Sakmar Phys. Rev. A 1994 49 2405 2410
16. H. M. Boechat-Roberty C. A. Lucas M. C. A. Lopes M. L. M. Rocco G. G. B. de Souza J. Phys. B: At., Mol. Opt. Phys. 2009 42
17. J. Berkowitz, Photoabsorption, Photoionization and Photoelectron Spetroscopy, Academic Press, New York, 1979, p. 469
18. J. Delwiche P. Natalis J. Momigny J. E. Collin J. Electron Spectrosc. Relat. Phenom. 1972-1973 1 219 225
19. J. H. D. Eland, Photoelectron spectroscopy; an introduction to ultraviolet photoelectron spectroscopy in the gas phase [by] J. H. D. Eland, Butterworths, London, 1974, p. 239
20. H. J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni and T. Thorsteinsson, MOLPRO, version 2006.1, a package of ab initio programs, 2007
21. T. H. Dunning J. Chem. Phys. 1989 90 1007 1023
22. C. Hampel K. Peterson H. Werner Chem. Phys. Lett. 1992 190 1 12
23. K. Kaufmann W. Baumeister M. Jungen J. Phys. B: At., Mol. Opt. Phys. 1989 22 2223 2240
24. P. Knowles C. Hampel H. Werner J. Chem. Phys. 1993 99 5219 5227
25. A. M. Ferreira, G. Seabra, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz, Quantum-Mechanical Prediction of Thermochemical Data, Kluwer, 2001
26. J. Ortiz J. Chem. Phys. 1996 104 7599 7605
27. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski and D. J. Fox, Gaussian 09 Revision B.1, Gaussian Inc, Wallingford CT, 2009
28. T. Crawford H. Schaefer T. Lee J. Chem. Phys. 1996 105 1060 1069
29. T. Lee A. Rendell K. Dyall D. Jayatilaka J. Chem. Phys. 1994 100 7400 7409
30. M. Schmidt K. Baldridge J. Boatz S. Elbert M. Gordon J. Jensen S. Koseki N. Matsunaga K. Nguyen S. Su T. Windus M. Dupuis J. Montgomery J. Comput. Chem. 1993 14 1347 1363
31. M. S. Gordon and M. Schmidt, in Advances in electronic structure theory: GAMESS a decade later, ed., C. E. Dykstra, G. Frenking, K. S. Kim, and, G. E. Scuseria, Elsevier, Amsterdam, 2005, pp. 1167-1189
32. V. Mozhayskiy and A. Krylov, ezSpectrum, http://iopenshell.usc.edu/ downloads
33. L. Koziol V. Mozhayskiy B. Braams J. Bowman A. Krylov J. Phys. Chem. A 2009 113 7802 7809
34. F. Duschinsky Acta Physicochim. URSS 1937 7 551 566
35. U. Fano J. Cooper Rev. Mod. Phys. 1968 40 441 507
36. T. Olney N. Cann G. Cooper C. Brion Chem. Phys. 1997 223 59 98
37. W. B. DeMore, S. P. Sander, D. M. Golden, R. F. Hampson, M. J. Kurylo, C. J. Howard, A. R. Ravishankara, C. E. Kolb and M. J. Molina, Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling, Evaluation Number 12, January 15, 1997
38. P. Limao-Vieira S. Eden P. Kendall N. Mason S. Hoffmann Chem. Phys. Lett. 2002 364 535 541
39. K. Gill R. Hites J. Phys. Chem. A 2002 106 2538 2544
40. S. Corchnoy R. Atkinson Environ. Sci. Technol. 1990 24 1497 1502