Time-resolved photoelectron imaging of excited state relaxation dynamics in phenol, catechol, resorcinol, and hydroquinone

Journal of Chemical Physics

Volumn 137, Issue 18, 2012, Pages

  Livingstone, Ruth A ^a   Thompson, James O F ^a   Iljina, Marija ^a   Donaldson, Ross J ^a   Sussman, Benjamin J ^b   Paterson, Martin J ^a   Townsend, Dave ^a  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CONICAL INTERSECTION; EXCITED STATE RELAXATION; INTRAMOLECULAR VIBRATIONAL REDISTRIBUTIONS; MATRIX INVERSION METHODS; PHOTOELECTRON ANGULAR DISTRIBUTIONS; PHOTOELECTRON IMAGES; TIME-RESOLVED PHOTOELECTRON IMAGING;

EXCITED STATES; PHOTOELECTRON SPECTROSCOPY;

PHENOLS;

CATECHOL; CATECHOL DERIVATIVE; HYDROQUINONE; HYDROQUINONE DERIVATIVE; PHENOL DERIVATIVE; RESORCINOL; RESORCINOL DERIVATIVE;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; TIME; X RAY PHOTOELECTRON SPECTROSCOPY;

CATECHOLS; HYDROQUINONES; MOLECULAR DYNAMICS SIMULATION; PHENOLS; PHOTOELECTRON SPECTROSCOPY; RESORCINOLS; TIME FACTORS;

EID: 84876479376     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4765104     Document Type: Article

References (105)

1. A. Sur and P. M. Johnson, J. Chem. Phys. 84, 1206 (1986). 10.1063/1.450512
2. R. J. Lipert, G. Bermudez, and S. D. Colson, J. Chem. Phys. 92, 3801 (1988). 10.1021/j100324a024
3. M. Takayanagi and I. Hanazaki, Laser Chem. 14, 103 (1994). 10.1155/1994/21635
4. G. Berden, W. L. Meerts, M. Schmitt, and K. Kleinermanns, J. Chem. Phys. 104, 972 (1996). 10.1063/1.470821
5. W. Roth, P. Imhof, M. Gerhards, S. Schumm, and K. Kleinermanns, Chem. Phys. 252, 247 (2000). 10.1016/S0301-0104(99)00326-2
6. T. Ebata, M. Kayano, S. Sato, and N. Mikami, J. Phys. Chem. A 105, 8623 (2001). 10.1021/jp011043k
7. C. Ratzer, J. Küpper, D. Spangenberg, and M. Schmitt, Chem. Phys. 283, 153 (2002). 10.1016/S0301-0104(02)00591-8
8. C.-M. Tseng, Y. T. Lee, and C.-K. Ni, J. Chem. Phys. 121, 2459 (2004). 10.1063/1.1781153
9. Y. Yamada, N. Mikami, and T. Ebata, J. Chem. Phys. 121, 11530 (2004). 10.1063/1.1829634
10. C.-M. Tseng, Y. T. Lee, M.-F. Lin, C.-K. Ni, S.-Y. Liu, Y.-P. Lee, Z. F. Xu, and M. C. Lin, J. Phys. Chem. A 111, 9463 (2007). 10.1021/jp073282z
11. M. L. Hause, Y. H. Yoon, A. S. Case, and F. F. Crim, J. Chem. Phys. 128, 104307 (2008). 10.1063/1.2831512
12. A. Iqbal, L.-J. Pegg, and V. G. Stavros, J. Phys. Chem. A 112, 9531 (2008). 10.1021/jp802155b
13. A. Iqbal, M. S. Y. Cheung, M. G. D. Nix, and V. G. Stavros, J. Phys. Chem. A 113, 8157 (2009). 10.1021/jp9031223
14. G. M. Roberts, A. S. Chatterley, J. D. Young, and V. G. Stavros, J. Phys. Chem. Lett. 3, 348 (2012). 10.1021/jz2016318
15. M. Krauss, J. O. Jensen, and H. F. Hameka, J. Phys. Chem. 98, 9955 (1994). 10.1021/j100091a004
16. J. Lorentzon, P. A. Malmqvist, M. Fulscher, and B. O. Roos, Theor. Chim. Acta 91, 91 (1995). 10.1007/BF01113865
17. S. Schumm, M. Gerhards, and K. Kleinermanns, J. Phys. Chem. A 104, 10648 (2000). 10.1021/jp000187g
18. A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 105, 9275 (2001). 10.1021/jp011260l
19. A. L. Sobolewski, W. Domcke, C. Dedonder-Lardeux, and C. Jouvet, Phys. Chem. Chem. Phys. 4, 1093 (2002). 10.1039/b110941n
20. M. Abe, Y. Ohtsuki, Y. Fujimura, Z. G. Lan, and W. Domcke, J. Chem. Phys. 124, 224316 (2006). 10.1063/1.2203611
21. M. de Groot and W. J. Buma, Chem. Phys. Lett. 420, 459 (2006). 10.1016/j.cplett.2005.12.095
22. M. Miura, Y. Aoki, and B. Champagne, J. Chem. Phys. 127, 084103 (2007). 10.1063/1.2761886
23. O. P. J. Vieuxmaire, Z. Lan, A. L. Sobolewski, and W. Domcke, J. Chem. Phys. 129, 224307 (2008). 10.1063/1.3028049
24. Z. G. Lan, W. Domcke, V. Vallet, A. L. Sobolewski, and S. Mahapatra, J. Chem. Phys. 122, 224315 (2005). 10.1063/1.1906218
25. H. An and K. K. Baeck, J. Phys. Chem. A 115, 13309 (2011). 10.1021/jp208117p
26. M. N. R. Ashfold, G. A. King, D. Murdock, M. G. D. Nix, T. A. A. Oliver, and A. G. Sage, Phys. Chem. Chem. Phys. 12, 1218 (2010). 10.1039/b921706a
27. M. N. R. Ashfold, B. Cronin, A. L. Devine, R. N. Dixon, and M. G. D. Nix, Science 312, 1637 (2006). 10.1126/science.1125436
28. M. G. D. Nix, A. L. Devine, B. Cronin, R. N. Dixon, and M. N. R. Ashfold, J. Chem. Phys. 125, 133318 (2006). 10.1063/1.2353818
29. A. L. Devine, M. G. D. Nix, B. Cronin, and M. N. R. Ashfold, Phys. Chem. Chem. Phys. 9, 3749 (2007). 10.1039/b704146b
30. G. A. King, A. L. Devine, M. G. D. Nix, D. E. Kelly, and M. N. R. Ashfold, Phys. Chem. Chem. Phys. 10, 6417 (2008). 10.1039/b809250h
31. M. N. R. Ashfold, A. L. Devine, R. N. Dixon, G. A. King, M. G. D. Nix, and T. A. A. Oliver, Proc. Natl. Acad. Sci. U.S.A. 105, 12701 (2008). 10.1073/pnas.0800463105
32. M. G. D. Nix, A. L. Devine, R. N. Dixon, and M. N. R. Ashfold, Chem. Phys. Lett. 463, 305 (2008). 10.1016/j.cplett.2008.08.085
33. G. A. King, T. A. A. Oliver, M. G. D. Nix, and M. N. R. Ashfold, J. Phys. Chem. A 113, 7984 (2009). 10.1021/jp9031404
34. R. N. Dixon, T. A. A. Oliver, and M. N. R. Ashfold, J. Chem. Phys. 134, 194303 (2011). 10.1063/1.3585609
35. E. B. Wilson, Phys. Rev. 45, 706 (1934). 10.1103/PhysRev.45.706
36. G. A. Pino, A. N. Oldani, E. Marceca, M. Fujii, S.-I. Ishiuchi, M. Miyazaki, M. Broquier, C. Dedonder, and C. Jouvet, J. Chem. Phys. 133, 124313 (2010). 10.1063/1.3480396
37. C. P. Schick and P. M. Weber, J. Phys. Chem. A 105, 3725 (2001). 10.1021/jp003303o
38. C. A. Beck, J. Chem. Phys. 18, 1135 (1950). 10.1063/1.1747901
39. T. M. Dunn, R. Tembreull, and D. M. Lubman, Chem. Phys. Lett. 121, 453 (1985). 10.1016/0009-2614(85)87212-2
40. T. Bürgi and S. Leutwyler, J. Chem. Phys. 101, 8418 (1994). 10.1063/1.468104
41. M. Gerhards, W. Perl, S. Schumm, U. Henrichs, C. Jacoby, and K. Kleinermanns, J. Chem. Phys. 104, 9362 (1996). 10.1063/1.471682
42. M. Gerhards, S. Schumm, C. Unterberg, and K. Kleinermanns, Chem. Phys. Lett. 294, 65 (1998). 10.1016/S0009-2614(98)00823-9
43. W. R. Duncan and O. V. Prezhdo, J. Phys. Chem. B 109, 365 (2005). 10.1021/jp046342z
44. M. Gerhards, W. Perl, and K. Kleinermanns, Chem. Phys. Lett. 240, 506 (1995). 10.1016/0009-2614(95)00567-N
45. M. Gerhards, M. Schiwek, C. Unterberg, and K. Kleinermanns, Chem. Phys. Lett. 297, 515 (1998). 10.1016/S0009-2614(98)01152-X
46. M. Gerhards, C. Unterberg, and S. Schumm, J. Chem. Phys. 111, 7966 (1999). 10.1063/1.480166
47. G. Myszkiewicz, W. L. Meerts, C. Ratzer, and M. Schmitt, ChemPhysChem 6, 2129 (2005). 10.1002/cphc.200500243
48. A. Oikawa, H. Abe, N. Mikami, and M. Ito, Chem. Phys. Lett. 116, 50 (1985). 10.1016/0009-2614(85)80123-8
49. R. Tembreull, T. M. Dunn, and D. M. Lubman, Spectrochim. Acta, Part A 42, 899 (1986). 10.1016/0584-8539(86)80208-2
50. S. J. Humphrey and D. W. Pratt, J. Chem. Phys. 99, 5078 (1993). 10.1063/1.466008
51. W. B. Tzeng, K. Narayanan, C. Y. Hsieh, and C. C. Tung, Spectrochim. Acta, Part A 53, 2595 (1997). 10.1016/S1386-1425(97)00193-5
52. G. N. Patwari, S. Doraiswamy, and S. Wategaonkar, Chem. Phys. Lett. 289, 8 (1998). 10.1016/S0009-2614(98)00398-4
53. G. N. Patwari, S. Doraiswamy, and S. Wategaonkar, J. Phys. Chem. A 104, 8466 (2000). 10.1021/jp000851t
54. M. Onda, K. Hasunuma, T. Hashimoto, and I. Yamaguchi, J. Mol. Struct. 159, 243 (1987). 10.1016/0022-2860(87)80042-X
55. W. Caminati, S. Di Bernado, L. Schäfer, S. Q. Kulp-Newton, and K. Siam, J. Mol. Struct. 240, 263 (1990). 10.1016/0022-2860(90)80515-L
56. C. Puebla and T.-K. Ha, J. Mol. Struct. THEOCHEM 204, 337 (1990). 10.1016/0166-1280(90)85085-2
57. G. A. King, T. A. A. Oliver, R. N. Dixon, and M. N. R. Ashfold, Phys. Chem. Chem. Phys. 14, 3338 (2012). 10.1039/c2cp22642a
58. R. Livingstone, O. Schalk, A. E. Boguslavskiy, G. Wu, L. T. Bergendahl, A. Stolow, M. J. Paterson, and D. Townsend, J. Chem. Phys. 135, 194307 (2011). 10.1063/1.3659231
59. A. Stolow, J. Vac. Sci. Technol. A 14, 2669 (1996). 10.1116/1.580000
60. U. Even, J. Jortner, D. Noy, N. Lavie, and C. Cossart-Magos, J. Chem. Phys. 112, 8068 (2000). 10.1063/1.481405
61. A. T. J. B. Eppink and D. H. Parker, Rev. Sci. Instrum. 68, 3477 (1997). 10.1063/1.1148310
62. E. Wrede, S. Laubach, S. Schulenburg, A. Brown, E. R. Wouters, A. J. Orr-Ewing, and M. N. R. Ashfold, J. Chem. Phys. 114, 2629 (2001). 10.1063/1.1337049
63. W. S. Hopkins, S. M. Hamilton, P. D. McNaughter, and S. R. Mackenzie, Chem. Phys. Lett. 483, 10 (2009). 10.1016/j.cplett.2009.10.072
64. Y. Ogi, H. Kohguchi, D. Niu, K. Ohshimo, and T. Suzuki, J. Phys. Chem. A 113, 14536 (2009). 10.1021/jp9039995
65. D. Townsend, M. P. Minitti, and A. G. Suits, Rev. Sci. Instrum. 74, 2530 (2003). 10.1063/1.1544053
66. B.-Y. Chang, R. C. Hoetzlein, J. A. Mueller, J. D. Geiser, and P. L. Houston, Rev. Sci. Instrum. 69, 1665 (1998). 10.1063/1.1148824
67. W. Li, S. D. Chambreu, S. A. Lahankar, and A. G. Suits, Rev. Sci. Instrum. 76, 063106 (2005). 10.1063/1.1921671
68. R. J. Lipert and S. D. Colson, J. Chem. Phys. 92, 3240 (1990). 10.1063/1.457879
69. T. Kobayashi and S. Nagakura, Bull. Chem. Soc. Jpn. 47, 2563 (1974). 10.1246/bcsj.47.2563
70. M. H. Palmer, W. Moyes, M. Speirs, and J. N. A. Ridyard, J. Mol. Struct. 52, 293 (1979). 10.1016/0022-2860(79)80126-X
71. O. Schalk, A. E. Boguslavskiy, and A. Stolow, J. Phys. Chem. A 114, 4058 (2010). 10.1021/jp911286s
72. K. L. Reid, Annu. Rev. Phys. Chem. 54, 397 (2003). 10.1146/annurev. physchem.54.011002.103814
73. T. Suzuki, Annu. Rev. Phys. Chem. 57, 555 (2006). 10.1146/annurev. physchem.57.032905.104601
74. J. F. Stanton and R. J. Bartlett, J. Chem. Phys. 98, 7029 (1993). 10.1063/1.464746
75. O. Christiansen, H. Kock, and P. Jorgensen, J. Chem. Phys. 105, 1451 (1996). 10.1063/1.472007
76. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 09, Revision A.2, Gaussian, Inc., Wallingford, CT, 2009.
77. DALTON, a molecular electronic structure program, Release 2.0 (2005), see http://www.kjemi.uio.no/software/dalton/dalton.html, 2005.
78. R. J. Le Roy and W.-K. Liu, J. Chem. Phys. 69, 3622 (1978). 10.1063/1.437070
79. G. M. Roberts and V. G. Stavros, personal communication (2012).
80. D. S. N. Parker, R. S. Minns, T. J. Penfold, G. A. Worth, and H. H. Fielding, Chem. Phys. Lett. 469, 43 (2009). 10.1016/j.cplett.2008.12.069
81. R. S. Minns, D. S. N. Parker, T. J. Penfold, G. A. Worth, and H. H. Fielding, Phys. Chem. Chem. Phys. 12, 15607 (2010). 10.1039/c001671c
82. T. J. Penfold and G. A. Worth, Chem. Phys. 375, 58 (2010). 10.1016/j.chemphys.2010.07.019
83. Q. Li, D. Mendive-Tapia, M. J. Paterson, A. Migani, M. Bearpark, M. A. Robb, and L. Blancafort, Chem. Phys. 377, 60 (2010). 10.1016/j.chemphys.2010.08. 016
84. R. S. von Benten, Y. Liu, and B. Abel, J. Chem. Phys. 133, 134306 (2010). 10.1063/1.3497650
85. Y.-Z. Liu, C.-C. Qin, S. Zhang, Y.-M. Wang, and B. Zhang, Acta Phys. -Chim. Sin. 27, 965 (2011). 10.3866/PKU.WHXB20110404
86. R. Matsumoto, K. Sakeda, Y. Matsushita, T. Suzuki, and T. Ichimura, J. Mol. Struct. 735, 153 (2005). 10.1016/j.molstruc.2004.10.088
87. Y.-I. Suzuki, T. Horio, T. Fuji, and T. Suzuki, J. Chem. Phys. 134, 184313 (2011). 10.1063/1.3586809
88. R. Spesyvtsev, O. M. Kirkby, M. Vacher, and H. H. Fielding, Phys. Chem. Chem. Phys. 14, 9942 (2012). 10.1039/c2cp41785e
89. R. N. Strickland and D. W. Chandler, Appl. Opt. 30, 1811 (1991). 10.1364/AO.30.001811
90. A. J. R. Heck and D. W. Chandler, Annu. Rev. Phys. Chem. 46, 335 (1995). 10.1146/annurev.pc.46.100195.002003
91. B. J. Whitaker, in Imaging in Chemical Dynamics, edited by, A. G. Suits, and, R. E. Continetti, (American Chemical Society, Washington, DC, 2000).
92. M. J. J. Vrakking, Rev. Sci. Instrum. 72, 4084 (2001). 10.1063/1.1406923
93. F. Renth, J. Riedel, and F. Temps, Rev. Sci. Instrum. 77, 033103 (2006). 10.1063/1.2176056
94. V. Dribinski, A. Ossadtchi, V. A. Mandelshtam, and H. Reisler, Rev. Sci. Instrum. 73, 2634 (2002). 10.1063/1.1482156
95. G. A. Garcia, L. Nahon, and I. Powis, Rev. Sci. Instrum. 75, 4989 (2004). 10.1063/1.1807578
96. C. Bordas, F. Pauling, H. Helm, and D. L. Huestis, Rev. Sci. Instrum. 67, 2257 (1996). 10.1063/1.1147044
97. K. Zhao, T. Colvin, W. T. Hill, and G. Zhang, Rev. Sci. Instrum. 73, 3044 (2002). 10.1063/1.1493231
98. S. Manzhos and H.-P. Loock, Comput. Phys. Commun. 154, 76 (2003). 10.1016/S0010-4655(03)00277-7
99. G. M. Roberts, J. L. Nixon, J. Lecointre, E. Wrede, and J. R. R. Verlet, Rev. Sci. Instrum. 80, 053104 (2009). 10.1063/1.3126527
100. M. J. Bass, M. Brouard, A. P. Clark, and C. Vallance, J. Chem. Phys. 117, 8723 (2002). 10.1063/1.1514978
101. S. Manzhos and H.-P. Loock, Rev. Sci. Instrum. 75, 2435 (2004). 10.1063/1.1764612
102. A. T. J. B. Eppink, S.-M. Wu, and B. J. Whitaker, in Imaging in Molecular Dynamics: Technology and Applications, edited by, B. J. Whitaker, (Cambridge University Press, Cambridge, 2003).
103. Y. T. Cho and S.-J. Na, Meas. Sci. Technol. 16, 878 (2005). 10.1088/0957-0233/16/3/032
104. T. F. Coleman and L. Yuying, SIAM J. Optim. 6, 1040 (1996). 10.1137/S1052623494240456
105. C. L. Lawson and R. J. Hanson, Solving Least Squares Problems (Society for Industrial and Applied Mathematics, Philadelphia, 1995).