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Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (60 views)

Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F

J Chem Physj Chem Phys (ISSN: 0021-9606), 2006 Jul 28; 125(4): 44512-44512.

Abstract
The molecule 3,3′-diethyl-2,2′-thiacyanine isomerizes after irradiation with light of the proper wavelength. After excitation, it undergoes a transition, in which one or more conical intersections are involved, back to the ground state to form different product photoisomers. The dynamics before and directly after the transition back to the ground state is investigated by transient absorption spectroscopy in a wavelength region of 360-950 nm, as well as by fluorescence upconversion. It is shown that the excited-state dynamics are governed by two time scales: a short one with a decay time of less than 2 ps and a long one with about 9 ps. A thorough comparison of the experimental results with those of configuration interaction singles and time-dependent density functional theory calculations suggests that these dynamics are related to two competing pathways differing in the molecular twisting on the excited surface after photoexcitation. From the experimental point of view this picture arises taking into account the time scales for ground-state bleach, excited-state absorption, stimulated emission, fluorescence, and assumed hot ground-state absorption both in the solvent methanol and ethylene glycol. © 2006 American Institute of Physics.

Affiliations ▼
*** IBB - CNR Affiliation

Physikalisches Institut, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany

Istituto di Biostrutture e Biommagini, CNR, via Mezzocannone 6, I-80134 Napoli, Italy

Istituto per i Processi Chimico-Fisici, CNR, CNR di Pisa, Area della Ricerca, via Moruzzi 1, I-56124 Pisa, Italy

Details ▼
Impact factor: 3.166, 5-year impact factor: 3.142

Paper type: Abstract, Conference, Research Support, Non-U. S. Gov'T,

Keywords: Absorption Spectroscopy, Electric Excitation, Fluorescence, Ground State, Isomerization, Probability Density Function, Density Functional Theory, Fluorescence Upconversion, Photoisomers, Wavelength, Molecular Dynamics, Diethyl 2, Thiacyanine, -Diethyl-2, -Thiacyanine, 5 Fluoro 2 Thiocytosine, 5-Fluoro-2-Thiocytosine, Carbocyanine, Drug Derivative, Ethylene Glycol, Methanol, Anisotropy, Article, Chemical Structure, Chemistry, Computer Program, Conformation, Laser, Light, Methodology, Photochemistry, Spectrophotometry, Temperature, Thermodynamics, Models, Molecular Conformation, Software, Time Factors, Phase Equilibria, Molecular Systems, Photoisomerization, Plesset Perturbation Theory Calculations, Statistical Model, Cytosine Analogs, Derivatives Chemistry, Ethylene Glycol Chemistry, Methanol Chemistry, Photochemistry Methods, Carbocyanines Chemistry,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33746810021&partnerID=40&md5=bd32b97065afb77748fc8fdac612d3fc

References ▼
Nuemberger, P., Vogt, G., Gerber, G., Improta, R., Santoro, F., (2006) J. Chem. Phys., 125, p. 044512. , preceding pape

Sanchez-Galvez, A., Hunt, P., Robb, M.A., Olivucci, M., Vreven, T., Schlegel, H., (2000) J. Am. Chem. Soc., 122, p. 2911

Hunt, P.A., Robb, M.A., (2005) J. Am. Chem. Soc., 127, p. 5720

Sundström, V., Gillbro, T., (1982) J. Phys. Chem., 86, p. 1788

Åkesson, E., Bergström, H., Sundström, V., Gillbro, T., (1986) Chem. Phys. Lett., 126, p. 385

Åberg, U., Sundström, V., (1991) Chem. Phys. Lett., 185, p. 461

Åberg, U., Åkesson, E., Sundström, V., (1993) Chem. Phys. Lett., 215, p. 388

Yartsev, A., Alvarez, J.L., Åberg, U., Sundström, V., (1995) Chem. Phys. Lett., 243, p. 281

Xu, Q.H., Fleming, G.R., (2001) J. Phys. Chem. A, 105, p. 10187

Zhang, T., Chen, C., Gong, Q., Yan, W., Wang, S., Yang, H., Jian, H., Xu, G., (1998) Chem. Phys. Lett., 298, p. 236

Hasche, T., Ashworth, S.H., Riedle, E., Woerner, M., Elsaesser, T., (1995) Chem. Phys. Lett., 244, p. 164

Misawa, K., Kobayashi, T., (2000) J. Chem. Phys., 113, p. 7546

Meyer, Y.H., Pittman, M., Plaza, P., (1998) J. Photochem. Photobiol., A, 114, p. 1

Vogt, G., Krampert, G., Niklaus, P., Nuemberger, P., Gerber, G., (2005) Phys. Rev. Lett., 94, p. 068305

Roth, N.J.L., Craig, A.C., (1974) J. Phys. Chem., 78, p. 1154

Bañares, L., Baumert, T., Bergt, M., Kiefer, B., Gerber, G., (1998) J. Chem. Phys., 108, p. 5799

Stoutland, P.O., Lambry, J.-C., Martin, J.-L., Woodruff, W.H., (1995) J. Phys. Chem., 95, p. 6406

Zhang, J.Z., Schwartz, B.J., King, J., Harris, C.B., (1992) J. Am. Chem. Soc., 114, p. 10921

Gulbinas, V., Kodis, G., Jursenas, S., Valkunas, L., Gruodis, A., Mialocq, J.C., Pommeret, S., Gustavsson, T., (1999) J. Phys. Chem. A, 103, p. 3969

Haran, G., Morlino, E.A., Matthes, J., Callender, R.H., Hochstrasser, R.M., (1999) J. Phys. Chem. A, 103, p. 2202

Yoder, L.M., Cole, A.G., Walker II, L.A., Sension, R.J., (2001) J. Phys. Chem. B, 105, p. 12180

Larsen, D.S., Vengris, M., Van Stokkum, I.H.M., Van Der Horst, M.A., De Weerd, F.L., Hellingwerf, K.J., Van Grondelle, R., (2004) Biophys. J., 86, p. 2538

Frisch, M.J., Trucks, G.W., Schlegel, H.B., (2003) Gaussian 03, Revision B.01, , Gaussian, Inc., Pittsburgh, PA

Ahlrichs, R., Bär, M., Häser, M., Horn, H., Kölmel, C., (1989) Chem. Phys. Lett., 162, p. 165

Häser, M., Ahlrichs, R., (1989) J. Comput. Chem., 10, p. 104

Horn, H., Weiss, H., Häser, M., Ehrig, M., Ahlrichs, R., (1991) J. Comput. Chem., 12, p. 1058

Treutler, O., Ahlrichs, R., (1995) J. Chem. Phys., 102, p. 346

Eichkorn, K., Weigend, F., Treutier, O., Ahlrichs, R., (1997) Theor. Chem. Acc., 97, p. 119

Bauernschmitt, R., Ahlrichs, R., (1996) Chem. Phys. Lett., 256, p. 454

Weiss, H., Ahlrichs, R., Häser, M., (1993) J. Chem. Phys., 99, p. 1262

Bauernschmitt, R., Häser, M., Treutler, O., Ahlrichs, R., (1997) Chem. Phys. Lett., 264, p. 573

Grimme, S., Furche, F., Ahlrichs, R., (2002) Chem. Phys. Lett., 361, p. 321

Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, p. 6158

Enzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys., 110, p. 5029

Cossi, M., Rega, N., Scalmani, G., Barone, V., (2001) J. Chem. Phys., 114, p. 5691

Wanko, M., Garavelli, M., Bernardi, F., Niehaus, T.A., Frauenheim, T., Elstner, M., (2004) J. Chem. Phys., 120, p. 1674

Dreuw, A., Weisman, J.L., Head-Gordon, M., (2003) J. Chem. Phys., 119, p. 2943

http://www.aip.org/pubservs/epaps.htmlSmirnov, A.V., Das, K., English, D.S., Wan, Z., Kraus, G.A., Petrich, J.W., (1999) J. Phys. Chem. A, 103, p. 7949

Kovalenko, S.A., Eilers-König, N., Senyushkina, T.A., Ernsting, N.P., (2001) J. Phys. Chem. A, 105, p. 4834

Bagchi, B., Åberg, U., Sundström, V., (1989) Chem. Phys. Lett., 162, p. 227

Kloepfer, J.A., Vilchiz, V.H., Lenchenkov, V.A., Bradforth, S.E., (1998) Chem. Phys. Lett., 298, p. 120

Vilchiz, V.H., Kloepfer, J.A., Germaine, A.C., Lenchenkov, V.A., Bradforth, S.E., (2001) J. Phys. Chem. A, 105, p. 1711

Damrauer, N.H., Cerullo, G., Yeh, A., Boussie, T.R., Shank, C.V., McCusker, J.K., (1997) Science, 275, p. 54

Damrauer, N.H., Boussie, T.R., Devenney, M., McCusker, J.K., (1997) J. Am. Chem. Soc., 119, p. 8253

Shaw, G.B., Brown, C.L., Papanikolas, J.M., (2002) J. Phys. Chem. A, 106, p. 1483

Shaw, G.B., Styers-Barnett, D.J., Gannon, E.Z., Granger, J.C., Papanikolas, J.M., (2004) J. Phys. Chem. A, 108, p. 4998

Sukowksi, U., Seilmeier, A., Elsaesser, T., Fischer, S.F., (1990) J. Chem. Phys., 93, p. 4094

Gai, F., Hasson, K.C., McDonald, J.C., Anfinrud, P.A., (1998) Science, 279, p. 1886

Nikowa, L., Schwarzer, D., Troe, J., (1995) Chem. Phys. Lett., 233, p. 303

Kovalenko, S.A., Schanz, R., Farztdinov, V.M., Henning, H., Ernsting, N.P., (2000) Chem. Phys. Lett., 323, p. 312

Geppert, D., De Vivie-Riedle, R., (2005) Chem. Phys. Lett., 404, p. 289

(2004) Femtochemistry and Femtobiology: Ultrafast Events in Molecular Science, , edited by M. Martin and J. T. Hynes (Elsevier Science, New York

Assion, A., Baumert, T., Bergt, M., Brixner, T., Kiefer, B., Seyfried, W., Strehle, M., Gerber, G., (1998) Science, 282, p. 919

Weinacht, T. C., Ahn, J., Bucksbaum, P. H., (1999) Nature (London), 397, p. 233

Brixner, T., Damrauer, N. H., Niklaus, P., Gerber, G., (2001) Nature (London), 414, p. 57

Levis, R. J., Menkir, G. M., Rabitz, H., (2001) Science, 292, p. 709

Herek, J. L., Wohlleben, W., Cogdell, R. J., Zeidler, D., Motzkus, M., (2002) Nature (London), 417, p. 533

Daniel, C., Full, J., Gonzalez, L., Lupulescu, C., Manz, J., Merli, A., Vajda, ., W ste, L., (2003) Science, 299, p. 536

Brixner, T., Gerber, G., (2003) ChemPhysChem, 4, p. 418

Schoenlein, R. W., Peteanu, L. A., Mathies, R. A., Shank, C. V., (1991) Science, 254, p. 412

Wang, Q., Schoenlein, R. W., Peteanu, L. A., Mathies, R. A., Shank, C. V., (1994) Science, 266, p. 422

Kaliteevskaya, E. N., Razumova, T. K., Tarnovskii, A. N., (1999) Opt. Spectrosc., 86, p. 126

Spaeth, M. L., Bortfeld, D. P., (1966) Appl. Phys. Lett., 9, p. 179

Sibbett, W., Taylor, J., Welford, D., (1981) IEEE J. Quantum Electron., 17, p. 500

Langford, N., Smith, K., Sibbett, W., (1987) Opt. Lett., 12, p. 903

Naber, A., Fischer, U. C., Kirchner, S., Dziomba, T., Kollar, G., Chi, L. F., Fuchs, H., (1999) J. Phys. Chem. B, 103, p. 2709

Gretchikhine, A., Schweitzer, G., Van Der Auweraer, M., De Keyzer, R., Vandenbroucke, D., Schryver, F. C. D., (1999) J. Appl. Phys., 85, p. 1283

Khazraji, A. C., Hotchandani, S., Das, S., Kamat, P. V., (1999) J. Phys. Chem. B, 103, p. 4693

Yonezawa, Y., Kometani, N., Sakaue, T., Yano, A., (2005) J. Photochem. Photobiol., A, 171, p. 1

Kim, J. S., Nam, T. Y., Huh, Y. J., (1997) Korean J. Chem. Eng., 14, p. 88

Hunt, P. A., Robb, M. A., (2005) J. Am. Chem. Soc., 127, p. 5720

Mandai, A. K., Pal, M. K., (2000) Chem. Phys., 253, p. 115

Peyratout, C., Daehne, L., (2002) Phys. Chem. Chem. Phys., 4, p. 3032

Meyer, Y. H., Pittman, M., Plaza, P., (1998) J. Photochem. Photobiol., A, 114, p. 1

Sundstr m, V., Gillbro, T., (1982) J. Phys. Chem., 86, p. 1788

kesson, E., Bergstro m, H., Sundstro m, V., Gillbro, T., (1986) Chem. Phys. Lett., 126, p. 385

berg, U., Sundstr m, V., (1991) Chem. Phys. Lett., 185, p. 461

berg, U., kesson, E., Sundstr m, V., (1993) Chem. Phys. Lett., 215, p. 388

Xu, Q. H., Fleming, G. R., (2001) J. Phys. Chem. A, 105, p. 10187

Churio, M. S., Angermund, K. P., Braslavsky, S. E., (1994) J. Phys. Chem. B, 98, p. 1776

Nakatsu, K., Yoshioka, H., Aoki, T., Chem. Lett., 1972, p. 339

Katayama, N., Ozaki, Y., Yasui, S., Iriyama, K., (1992) J. Mol. Struct., 274, p. 171

Ghelli, S., Ponterini, G., (1995) J. Mol. Struct., 355, p. 193

Vogt, G., Nuernberger, P., Gerber, G., Improta, R., Santoro, F., (2006) J. Chem. Phys., 125, p. 044513. , following paper

Bafiares, L., Baumert, T., Bergt, M., Kiefer, B., Gerber, G., (1998) J. Chem. Phys., 108, p. 5799

Stoutland, P. O., Lambry, J. -C., Martin, J. -L., Woodruff, W. H., (1995) J. Phys. Chem., 95, p. 6406

Zhang, J. Z., Schwartz, B. J., King, J., Harris, C. B., (1992) J. Am. Chem. Soc., 114, p. 10921

Yoder, L. M., Cole, A. G., Walker II, L. A., Sension, R. J., (2001) J. Phys. Chem. B, 105, p. 12180

Larsen, D. S., Vengris, M., Van Stokkum, I. H. M., Van Der Horst, M. A., De Weerd, F. L., Hellingwerf, K. J., Van Grondelle, R., (2004) Biophys. J., 86, p. 2538

Peng, C., Schlegel, H. B., (1994) Isr. J. Chem., 33, p. 449

Peng, C., Ayala, P. Y., Schlegel, H. B., Frisch, M. J., (1996) J. Comput. Chem., 17, p. 49

Wesolowski, T. A., Parisel, O., Ellinger, Y., Weber, J., (1997) J. Phys. Chem. A, 101, p. 7818

Kamiya, M., Tsuneda, T., Hirao, K., (2002) J. Chem. Phys., 117, p. 6010

Tsuzuki, S., L thi, H. P., (2001) J. Chem. Phys., 114, p. 3949

Improta, R., Barone, V., (2004) J. Comput. Chem., 25, p. 1333

Barone, V., Cossi, M., Tomasi, J., (1997) J. Chem. Phys., 107, p. 3210

Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, p. 4708

Frisch, M. J., Trucks, G. W., Schlegel, H. B., (2003) Gaussian 03, Revision B. 01, , Gaussian, Inc., Pittsburgh, PA

Yeh, A. T., Shank, C. V., McCusker, J. K., (2000) Science, 289, p. 935

Wallin, S., Davidsson, J., Modin, J., Hammarstr m, L., (2005) J. Phys. Chem. A, 109, p. 4697

Shaw, G. B., Brown, C. L., Papanikolas, J. M., (2002) J. Phys. Chem. A, 106, p. 1483

Wynne, K., Reid, G. D., Hochstrasser, R. M., (1996) J. Chem. Phys., 105, p. 2287

Toele, P., Zhang, H., Glasbeek, M., (2002) J. Phys. Chem. A, 106, p. 3651

Kovalenko, S. A., Schanz, R., Farztdinov, V. M., Hennig, H., Ernsting, N. P., (2000) Chem. Phys. Lett., 323, p. 312

Roth, N. J. L., Craig, A. C., (1974) J. Phys. Chem., 78, p. 1154

Glasstone, S., Laidler, K. J., Eyring, H., (1941) The Theory of Rate Processes, , McGraw-Hill, New York

Laidler, K. J., (1969) Theories of Chemical Reaction Rates, , McGraw-Hill, London

(2004) Conical Intersections-electronic Structure, Dynamics and Spectroscopy, , edited by W. Domcke, D. R. Yarkony, and H. Koppels (World Scientific, Singapore)

http: //www. aip. org/pubservs/epaps. htmlUR - http: //www. scopus. com/inward/record. url? eid=2-s2. 0-33746848473&partnerID=40&md5=a916bb1bb9bfe19bb6a65e60dede1749

Ba ares, L., Baumert, T., Bergt, M., Kiefer, B., Gerber, G., (1998) J. Chem. Phys., 108, p. 5799

Ahlrichs, R., B r, M., H ser, M., Horn, H., K lmel, C., (1989) Chem. Phys. Lett., 162, p. 165

H ser, M., Ahlrichs, R., (1989) J. Comput. Chem., 10, p. 104

Kovalenko, S. A., Eilers-K nig, N., Senyushkina, T. A., Ernsting, N. P., (2001) J. Phys. Chem. A, 105, p. 4834

Bagchi, B., berg, U., Sundstr m, V., (1989) Chem. Phys. Lett., 162, p. 227

Kloepfer, J. A., Vilchiz, V. H., Lenchenkov, V. A., Bradforth, S. E., (1998) Chem. Phys. Lett., 298, p. 120

Vilchiz, V. H., Kloepfer, J. A., Germaine, A. C., Lenchenkov, V. A., Bradforth, S. E., (2001) J. Phys. Chem. A, 105, p. 1711

Damrauer, N. H., Cerullo, G., Yeh, A., Boussie, T. R., Shank, C. V., McCusker, J. K., (1997) Science, 275, p. 54

Damrauer, N. H., Boussie, T. R., Devenney, M., McCusker, J. K., (1997) J. Am. Chem. Soc., 119, p. 8253

Shaw, G. B., Styers-Barnett, D. J., Gannon, E. Z., Granger, J. C., Papanikolas, J. M., (2004) J. Phys. Chem. A, 108, p. 4998

Gai, F., Hasson, K. C., McDonald, J. C., Anfinrud, P. A., (1998) Science, 279, p. 1886

Weinacht, T.C., Ahn, J., Bucksbaum, P.H., (1999) Nature (London), 397, p. 233

Levis, R.J., Menkir, G.M., Rabitz, H., (2001) Science, 292, p. 709

Herek, J.L., Wohlleben, W., Cogdell, R.J., Zeidler, D., Motzkus, M., (2002) Nature (London), 417, p. 533

Schoenlein, R.W., Peteanu, L.A., Mathies, R.A., Shank, C.V., (1991) Science, 254, p. 412

Kaliteevskaya, E.N., Razumova, T.K., Tarnovskii, A.N., (1999) Opt. Spectrosc., 86, p. 126

Spaeth, M.L., Bortfeld, D.P., (1966) Appl. Phys. Lett., 9, p. 179

Khazraji, A.C., Hotchandani, S., Das, S., Kamat, P.V., (1999) J. Phys. Chem. B, 103, p. 4693

Kim, J.S., Nam, T.Y., Huh, Y.J., (1997) Korean J. Chem. Eng., 14, p. 88

Mandai, A.K., Pal, M.K., (2000) Chem. Phys., 253, p. 115

Churio, M.S., Angermund, K.P., Braslavsky, S.E., (1994) J. Phys. Chem. B, 98, p. 1776

Peng, C., Ayala, P.Y., Schlegel, H.B., Frisch, M.J., (1996) J. Comput. Chem., 17, p. 49

Wesolowski, T.A., Parisel, O., Ellinger, Y., Weber, J., (1997) J. Phys. Chem. A, 101, p. 7818

Tsuzuki, S., Lüthi, H.P., (2001) J. Chem. Phys., 114, p. 3949

Yeh, A.T., Shank, C.V., McCusker, J.K., (2000) Science, 289, p. 935

Wynne, K., Reid, G.D., Hochstrasser, R.M., (1996) J. Chem. Phys., 105, p. 2287

Laidler, K.J., (1969) Theories of Chemical Reaction Rates, , McGraw-Hill, London


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* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (53 views)
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
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1 Records (1 excluding Abstracts and Conferences).
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Total 5-year impact factor: 5.152 (5.152 excluding Abstracts and Conferences).



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