Chemical reaction dynamics of some simple molecules in solution

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 356, Issue 1736, 1998, Pages 377-388

  Gnanakaran, S ^a   Lim, M ^a   Volk, M ^a,b   Gooding, E ^a   Kholodenko, Y ^a   Hochstrasser, R M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Cage dynamics; Charge switching; Chemical reaction dynamics; Impulsive dissociation; Vibration rotation coupling

Indexed keywords

EID: 3042946059     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.1998.0171     Document Type: Article

References (78)

1. Autrey, T., Devadoss, C., Sauerwein, B., Franz, J. A. & Schuster, G. B. 1995 Solvent cage recombination of 4-benzoylphynylthiyl radicals: fast intersystem crossing of triplet sulfur-centered radical pair. J. Phys. Chem. 99, 869-871.
2. Bader, J. S. & Chandler, D. 1989 Computer simulation of photochemically induced electron transfer. Chem. Phys. Lett. 157, 501-504.
3. 3. Coherent photochemistry in solution. J. Chem Phys. 98, 4391-4403.
4. 3. Isr. J. Chem. 33, 141-156.
5. Barbara, P. F. & Jarzeba, W. 1990 Ultrafast photochemical intramolecular charge and excited state solvation. Adv. Photochem. 15, 1-68.
6. Baumert, T., Pedersen, S. & Zewail, Z. H. 1993 Femtosecond real time probing of reactions. 12. Vectorial dynamics of transition states. J. Phys. Chem. 97, 12447-12459.
7. Berne, B. J. & Pecora, R. 1976 Dynamic light scattering. New York: Wiley.
8. Borisevich, N. A., Lysak, N. A., Melnichuk, S. V., Tikhomirov, S. A. & Tolstorozhev, G. B. 1990 Fast structural transformations of organic molecules. In Ultrafast phenomena in spectroscopy (ed. E. Klose & B. Wilhelmi), vol. 49, pp. 276-281. Berlin, Heidelberg: Springer.
9. Borisevich, N. A., Melnichuk, S. V., Tikhomirov, S. A. & Tolstorozhev, G. B. 1992 Fast processes in organic free radicals. Bull. Russ. Acad. Sci. Phys. 56, 184-192.
10. Bowman, R. M., Dantus, M. & Zewail, A. H. 1989 Femtochemistry of the reaction: IHgI* → [IHg ...I]* → HgI + I. Chem. Phys. Lett. 156, 131-137.
11. Brink, D. M. & Satchler, G. R. 1979 Angular momentum. Oxford: Clarendon Press.
12. Bultmann, T. & Enrsting, N. P. 1996 Competition between germinate recombination and solvation of polar radicals following ultrafast photodissociation of bis(p-aminophenyl) disulfide. J. Phys. Chem. 100, 19417-19424.
13. Burshtein, A. I. & Temkin, S. I. 1994 Spectroscopy of molecular rotation in gases and liquids. Cambridge University Press.
14. Carter, E. A. & Hynes, J. T. 1989 Solute-dependent solvent force constants for ion pairs and neutral pairs in a polar solvent. J. Phys. Chem. 93, 2184-2187.
15. Carter, E. A. & Hynes, J. T. 1991 Solvation dynamics for an ion pair in a polar solvent: time-dependent uorescence and photochemical charge transfer. J. Chem. Phys. 94, 5961-5979.
16. Chandler, D. 1974 Translational and rotational diffusion in liquids. II. Orientational single-particle correlation function. J. Chem. Phys. 60, 3508-3512.
17. Chandler, D. 1990 Introduction to modern statistical mechanics. Oxford University Press.
18. Chandrasekhar, S. 1943 Stochastic problems in physics and astronomy. Rev. Mod. Phys. 15, 1-89.
19. Cong, P., Simon, J. D. & Yan, Y. 1995 Probing the molecular dynamics of liquids and solutions. In Ultrafast processes in chemistry and photobiology. Oxford: Blackwell Science.
20. Cross, A. J., Waldeck, D. H. & Fleming, G. R. 1983 Time resolved polarization spectroscopy: level kinetics and rotational diffusion. J. Chem. Phys. 78, 6455-6467.
21. Dantus, M., Bowman, R. M., Baskin, J. S. & Zewail, A. H. 1989a Femtosecond real-time alignment in chemical reactions. Chem. Phys. Lett. 159, 406-412.
22. Dantus, M., Bowman, R. M., Gruebele, M. & Zewail, A. H. 1989b Femtosecond real-time probing of reactions. V. The reaction of mercury iodide. J. Chem. Phys. 91, 7437-7450.
23. Debye, P. 1928 Polar molecules. New York: Dover.
24. Ernsting, N. P. 1993 Femtosecond photodissociation of aromatic disulfides followed by solvent relaxation. In Ultrafast phenomena VIII (ed. J. L. Martin, A. Migus, G. A. Mourou & A. H. Zewail), pp. 638-640. Berlin, Heidelberg: Springer.
25. Evans, M. W., Evans, G. J., Coffey, W. T. & Grigolini, P. 1982 Molecular dynamics. New York: Wiley.
26. Fixman, M. & Rider K. 1969 Angular relaxation of the symmetric top. J. Chem. Phys. 51, 2425-2438.
27. Fonseca, T. & Ladanyi, B. M. 1991 Breakdown of linear response for solvation dynamics in methanol. J. Phys. Chem. 95, 2116-2119.
28. Franck, J. & Rabinowitch, E. 1934 Free radicals and the photochemistry of solutions. Trans. Faraday Soc. 30, 120-131.
29. Gnanakaran, S., Lim, M., Pugliano, N., Volk, M. & Hochstrasser, R. M. 1996 Energy and phase relaxation accompanying impulsive reactions in liquids. J. Phys. Condens. Matter 8, 9201-9220.
30. Gordon, R. G. 1965a Correlation functions for molecular motion. Adv. Mag. Reson. 3, 1-42.
31. Gordon, R. G. 1965b Molecular motion in infrared and Raman spectra. J. Chem. Phys. 43, 1307-1312.
32. Gordon, R. G. 1965c Relation between Raman spectroscopy and nuclear magnetic spin resonance. J. Chem. Phys. 42, 3658-3665.
33. Gordon, R. G. 1966 On the rotational diffusion of molecules. J. Chem. Phys. 44, 1830-1836.
34. Gruebele, M., Roberts, G. & Zewail, A. H. 1990 Femtochemistry of the reaction mercury diiodide: theory versus experiment. Phil. Trans. R. Soc. Lond. A 332, 223-243.
35. Haran, G., Wynne, K., Moser, C. C., Button, P. L. & Hochstrasser, R. M. 1996 Level mixing and energy redistribution in bacterial photosynthetic reaction centers. J. Phys. Chem. 100, 5562-5569.
36. Hirata, Y., Niga, Y., Makita, S. & Okada, T. 1997 Geminate recombination of the p-aminophenylthiyl radical pair produced by the photodissociation of p-aminophenylthiyl disulfide in non-polar solvents. J. Phys. Chem. 101, 561-565.
37. Hochstrasser, R. M., Pereira, M. A., Share, P. E., Sarisky, M. J., Kim, Y. R., Repinec, S. T., Sension, R. J., Thorne, J. R. G., Iannone, M., Diller, R., Anfinrud, P. A., Han, C., Lian, T. & Locke, B. 1991 Anisotropy studies of ultrafast dipole reorientations. Proc. Indian Acad. Sci. (Chem. Sci.) 103, 351-362.
38. Hwang, J. & Warshel, A. 1987 Microscopic examination of free-energy relationships for electron transfer in polar solvents. J. Am Chem. Soc. 109, 715-720.
39. Hynes, J. T. 1986 Outer-sphere electron transfer reactions and frequency-dependent friction. J. Phys Chem. 90, 3701-3706.
40. Jimenez, R., Fleming, G. R., Kumar, P. V. & Maroncelli, M. 1994 Femtosecond solvation dynamics of water. Nature 369, 471-473.
41. Kim, Y. R., Share, P., Pereira, M., Sarisky, M. & Hochstrasser, R. M. 1989 Direct measurements of energy transfer between identical chromophores in solution. J. Chem. Phys. 91, 7557-7562.
42. Kivelson, D. & Keyes, T. 1972 Unified theory of orientational relaxation. J. Chem. Phys. 57, 4599-4612.
43. Kuharski, R. A., Bader, J. S., Chandler, D., Spirk, M., Klein, M. L. & Impey, R. W. 1988 Molecular model for aqueous ferrous-ferric electron transfer. J. Chem. Phys. 89, 3243-3257.
44. Kumar, P. V. & Maroncelli, M. 1995 Polar solvation dynamics of polyatomic solutes: simulation studies in acetronile and methanol. J. Chem. Phys. 103, 3038-3060.
45. Li, Z., Zadoyan, R., Apkarian, V. A. & Martens, C. C. 1995 Femtosecond many-body dynamics of caging-experiment and simulation of 1-2 photodissociation-recombination in solid Ar. J. Phys. Chem. 99, 7453-7465.
46. - in water. J. Chem. Phys. 106, 3485-3493.
47. Lindenberg, K. & Cukier, R. I. 1975 Generalized stochastic model for molecular rotational motion in dense media. J. Chem. Phys. 62, 3271-3280.
48. Liu, Q. L., Wang, J. K. & Zewail, A. H. 1993 Femtosecond dynamics of dissociation and recombination in solvent cages. Nature 364, 427-430.
49. Lu, H. S. M., Volk, M., Kholodenko, Y., Gooding, E., Hochstrasser, R. M. & DeGrado, W. F. 1997 Aminothiotyrosine disulfide, an optical trigger for initiation of protein folding. J. Am. Chem. Soc. 119, 7173-7180.
50. Lynden-Bell, R. M. & McDonald, I. R. 1982 Tests of models of molecular reorientation in liquids. Chem. Phys. Lett. 89, 105-109.
51. Maroncelli, M. 1991 Computer simulation of solvation dynamics in acetonitrile. J. Chem. Phys. 94, 2084-2103.
52. Maroncelli, M. & Fleming, G. R. 1988 Computer simulation of dynamics of aqueous solvation. J. Chem. Phys. 89, 5044-5069.
53. Nakamura, M., Ito, O. & Matsude, M. 1980 Substituent effect on the rate constants for the reactions between benzenethiyl radicals and stable free radicals estimated by ash photolysis. J. Am. Chem. Soc. 102, 698-701.
54. Pedersen, S., Baumert, T. & Zewail, A. H. 1993 Femtosecond real-time probing of reactions. 13. Multiphoton dynamics of IHgI. J. Phys. Chem. 97, 12460-12465.
55. Phelps, D. K., Weaver, M. J. & Ladanyi, B. M. 1993 Solvent dynamical effects in electron transfer: molecular dynamics simulation of reactions in methanol. Chem. Phys. 176, 575-588.
56. 2 photodissociation reaction in solution. J. Chem. Phys. 99, 7273-7276.
57. Pugliano, N., Szarka, A. Z., Gnanakaran, S., Triechel, M. & Hochstrasser, R. M. 1995 Vibrational population dynamics of the HgI photofragment in ethanol solution. J. Chem. Phys. 103, 6498-6511.
58. 2 in solution. J. Chem. Phys. 104, 5062-5079.
59. Rabinowitch, E. & Wood, W. C. 1936 Collision mechanism and the primary photochemical process in solutions. Trans. Faraday Soc. 32, 1381-1387.
60. Raftery, D., Sension, R. J. & Hochstrasser, R. M. 1993 The barrier crossing problem. In Chemical aspects of solution phase reaction dynamics. Singapore: World Scientific.
61. Rossky, P. J. & Simon, J. D. 1994 Dynamics of chemical processes in polar solvents. Nature 370, 263-269.
62. Schwartz, B. J., King, J. C., Zhang, J. Z. & Harris, C. B. 1993 Direct femtosecond measurements of single collision dominated geminate recombination times of small molecules in liquids. Chem. Phys. Lett. 203, 503-508.
63. Scott, T. W. & Liu, S. N. 1989 Picosecond geminate recombination of phenylthiyl free-radical pairs. J. Phys. Chem. 93, 1393-1396.
64. Sension, R. J., Repinec, S. T., Szarka, A. Z. & Hochstrasser, R. M. 1993 Femtosecond laser studies of the cis-stilbene photisomerization reactions. J. Chem. Phys. 98, 6291.
65. Steele, W. A. 1963a Molecular reorientation in liquids. I. Distribution functions and friction constants. J. Chem. Phys. 38, 2404-2410.
66. Steele, W. A. 1963b Molecular reorientation in liquids. II. Angular autocorrelation functions. J. Chem. Phys. 38, 2411-2418.
67. Steele, W. A. 1969 In Transport phenomena in fluids (ed. H. J. M. Hanley), ch. 8. New York: Dekker.
68. Steele, W. A. 1976 The rotation of molecules in dense phases. Adv. Chem. Phys. 34, 1-104.
69. Szabo, A. 1984 Theory of uorescence depolarization in macromolecules and membranes. J. Chem. Phys. 81, 150-167.
70. 2 dissociation, transition state and fragment rotational dynamics. J. Phys. Chem. 101, 638-643.
71. Volk, M., Kholodenko, Y., Gooding, E., Lu, H., DeGrado, W. F. & Hochstrasser, R. M. 1997b Peptide conformational dynamics and Stark effect by photoinitiated disulfide cleavage. J. Phys. Chem. B101, 8607-8616.
72. Volk, M., Kholodenko, Y., Gooding, E. W. F. & Hochstrasser, R. M. 1997c (In preparation.)
73. Wan, C., Gupta, M., Baskin, J. S., Kim, Z. H. & Zewail, A. H. 1997 Caging phenomena in reactions: femtosecond observation of coherent, collisional confinement. J. Chem. Phys. 106, 4353-4356.
74. Wang, J. K., Liu, Q. L. & Zewail, A. H. 1995 Solvation ultrafast dynamics of reactions. 9. Femtosecond studies of dissociation and recombination of iodine in argon clusters. J. Phys. Chem. 99, 11309-11320.
75. Wynne, K. & Hochstrasser, R. M. 1993 Coherence effects in the anisotropy of optical experiments. Chem. Phys. 171, 179-188.
76. Wynne, K. & Hochstrasser, R. M. 1995 Anisotropy as an ultrafast probe of coherence in degenerate systems exhibiting Raman, uorescence, transient absorption and chemical reactions. J. Raman Spectrosc. 26, 561-569.
77. 2 in isolated in matrix Ar. Chem. Phys. Lett. 218, 504-514.
78. Zhu, F., Galli, C. & Hochstrasser, R. M. 1993 The real-time intramolecular electronic excitation transfer dynamics of 9′,9-bi uorene and 2′,2-binaphthyl in solution. J. Chem. Phys. 98, 1042-1057.