Resonance raman spectrum of the solvated electron in methanol: Simulation within a cluster model

Journal of Physical Chemistry A

Volumn 110, Issue 17, 2006, Pages 5613-5619

  Neumann, Stefanie ^a   Eisfeld, Wolfgang ^a   Sobolewski, Andrzej L ^b   Domcke, Wolfgang ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b INSTITUTE OF PHYSICS   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSITIONS; ELECTRONS; METHANOL; PROBABILITY DENSITY FUNCTION; PROTONS; RESONANCE;

LIQUID METHANOL; METHANOL CLUSTERS; RESONANCE RAMAN INTENSITIES; SOLVATED ELECTRON CLOUD;

RAMAN SCATTERING;

METHANOL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; METHODOLOGY; RAMAN SPECTROMETRY; SENSITIVITY AND SPECIFICITY; SOLUBILITY; STANDARD;

COMPUTER SIMULATION; ELECTRONS; METHANOL; MODELS, CHEMICAL; REFERENCE STANDARDS; SENSITIVITY AND SPECIFICITY; SOLUBILITY; SPECTRUM ANALYSIS, RAMAN;

EID: 33744504476     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0574549     Document Type: Article

References (43)

1. Gould, R. F., Ed. Solvated Electron; Advances in Chemistry; American Chemical Society Washington, DC, 1965.
2. Schindewolf, U. Angew. Chem., Int. Ed. Engl. 1978, 17, 887.
3. Feng, D.-F.; Kevan, L. Chem. Rev. 1980, 80, 1.
4. Tuttle, T. R., Jr.; Golden, S. J. Phys. Chem. 1991, 95, 5725.
5. Taub, I. A.; Harter, D. A.; Sauer, M. C.; Dorfman, L. M. J. Chem. Phys. 1964, 41, 979.
6. Sauer, M. C.; Arai, S.; Dorfman, L. M. J. Chem. Phys. 1965, 42, 708.
7. Jha, K. N.; Freeman, G. R. J. Chem. Phys. 1968, 48, 5480.
8. Shiraishi, H.; Ishigure, K.; Morokuma, K. J. Chem. Phys. 1988, 88, 4637.
9. Jou, F.-Y.; Freeman, G. R. J. Phys. Chem. 1977, 81, 909.
10. Jou, F.-Y.; Freeman, G. R. J. Phys. Chem. 1979, 83, 261.
11. Robinson, M. G.; Jha, K. N.; Freeman, G. R. J. Chem. Phys. 1971, 55, 4933.
12. Arai, S.; M. C. Sauer, J. J. Chem. Phys. 1966, 44, 2297.
13. K. N. Jha, G. L. B.; Freeman, G. R. J. Chem. Phys. 1972, 76, 3876.
14. Kenney-Wallace, G. A.; Jonah, C. D. J. Phys. Chem. 1982, 86, 2572.
15. Shi, X.; Long, F. H.; Lu, H.; Eisenthal, K. B. J. Phys. Chem. 1995, 99, 6917.
16. Walhout, P. K.; Alfano, J. C.; Kimura, Y.; Silva, C.; Reid, P. J.; Barbara, P. F. Chem. Phys. Lett. 1995, 232, 135.
17. Mizuno, M.; Tahara, T. J. Phys. Chem. A 2001, 105, 8823.
18. Mizuno, M.; Tahara, T. J. Phys. Chem. A 2003, 107, 2411.
19. Tauber, M.; Mathies, R. J. Phys. Chem. A 2001, 105, 10952.
20. Tauber, M. J.; Mathies, R. A. Chem. Phys. Lett. 2002, 354, 518.
21. Tauber, M.; Mathies, R. J. Am. Chem. Soc. 2003, 125, 1394.
22. Tauber, M.; Stuart, C. M.; Mathies, R. J. Am. Chem. Soc. 2004, 126, 3414.
23. Ogg, R. A. J. Am. Chem. Soc. 1946, 68, 155.
24. Tun, L.; Mosyak, A.; Rossky, P. J. J. Chem. Phys. 1997, 107, 1970.
25. Mosyak, A. A.; Prezhdo, O. V.; Rossky, P. J. J. Chem. Phys. 1998, 109, 6390.
26. Mináry, P.; Tun, L.; Rossky, P. J. J. Chem. Phys. 1999, 110, 10953.
27. Mosyak, A. A.; Prezhdo, O. V.; Rossky, P. J. J. Mol. Struct. 1999, 485-486, 545.
28. Sobolewski, A. L.; Domcke, W. Phys. Chem. Chem. Phys. 2002, 4, 4.
29. Sobolewski, A. L.; Domcke, W. J. Phys. Chem. A 2002, 106, 4158.
30. Robinson, G. W.; Thistlewaite, P. J.; Lee, J. J. Phys. Chem. 1986, 90, 4224.
31. Hameka, H. F.; Robinson, G. W.; Marsden, C. J. Phys. Chem. 1987, 91, 3150.
32. Neumann, S.; Eisfeld, W.; Sobolewski, A.; Domcke, W. Phys. Chem. Chem. Phys. 2004, 6, 5297.
33. Lee, S.-Y.; Heller, E. J. J. Chem. Phys. 1979, 71.
34. Heller, E. J. Acc. Chem. Res. 1981, 14, 368.
35. Savin, F. Opt. Spectrosc. 1965, 19, 555.
36. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
37. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
38. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
39. Vosko, S.; Wilk, L.; Nussair, M. Can. J. Phys. 1980, 55, 1200.
40. W. J. Hehre, R. D.; Pople, J. J. Chem. Phys. 1972, 56, 2257.
41. 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, revision B.04; Gaussian Inc.: Pittsburgh, PA, 2003.
42. Ahlrichs, R.; Bär, M.; Häser, M.; Horn. H.; Kölmel, C. Chem. Phys. Lett. 1989, 162, 165.
43. Falk, M.; Whalley, E. J. Chem. Phys. 1961, 34, 1554.