Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (278 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 8.58, 5-year impact factor: 8.805
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-69949158122&partnerID=40&md5=dee8189784a4b05a511f694c031baf0e
Keywords: Aqueous Solutions, Biexponential, Biexponential Decay, Broad Bands, Bulk Solvents, Conical Intersection, Femtoseconds, Fluorescence Lifetimes, Guanine Rings, Guanosines, Internal Conversions, Monophosphates, Out-Of-Plane Displacement, Ph Range, Photo-Induced, Photoinduced Dynamics, Protonated, Quantum-Chemical Calculation, Quantum-Mechanical Calculation, Specific Solvation, State-To-State Relaxation, Time-Dependent, Transient Absorption Spectroscopies, Ultra-Fast, Ultrafast Decay, Various Ph, Biomolecules, Excited States, Ground State, Ph Effects, Quantum Chemistry, Water Absorption, Guanosine Phosphate, Article, Light, Proton Transport,
Affiliations:
*** IBB - CNR ***
Department of Chemistry, Humboldt University, Brook-Taylor Street-2, D-12489 Berlin, Germany
Department of Physical Chemistry, Heinrich-Heine-University, University Street-1, D-40225 Düsseldorf, Germany
Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte S. Angelo Via Cintia, I-80126 Napoli, Italy
Istituto Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
References:
Crespo-Hernández, C.E., Cohen, B., Kohler, B., (2005) Nature (London), 436, p. 114
Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernández, C.E., Kohler, B., (2009) Annu. Rev. Phys. Chem, 60, pp. 217-239
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature (London), 441, pp. E7
Schwalb, N., Temps, F.N., (2008) Science, 322, p. 243
Samoylova, E., Radloff, W., Hertel, I.V., Sobolewski, A.L., Domcke, W., (2004) Science, 306, pp. 1765-1768
Callis, P.R., (1983) Amu. Rev. Phys. Chem, 34, p. 329
Fujiwara, T., Kamoshida, Y., Morita, R., Yamashita., M., (1997) J. Photochem. Phptobiol. B: Biol, 41, p. 114
Reuther, A., Iglev, H., Laenen, R., Laubereau., A., (2000) Chem. Phys. Lett, 325, p. 368
Pecourt, M.J.L., Peon, J., Kohler, B., (2000) Am. Chem. Soc. J., 122, p. 9348
Pecourt. -M., J.L., Peon, J., Kohler., B., (2001) J. Am. Chem. Soc, 123, p. 10370
Peon, J., Zewail, A.H., (2001) Chem. Phys. Lett, 348, pp. 255-262
Gustavsson, T., Sharonov, A., Onidas, D., Markovitsi, D., (2002) Chem. Phys. Lett, 356, p. 49
Canuel, C., Mons, M., Piuzzi, F., Tardivel, B., Dimicoli, I., Elhanine, M., (2005) J. Chem. Phys, 122, p. 074316
Cohen, B., Hare, P.M., Kohler, B., (2003) J. Am. Chem. Soc, 125, p. 13594
Hare., P.M., Crespo-Hernándes, C.E., Kohler, B., (2007) Proc. Natl. Acad. So. U. S.A, 104, p. 435
Pancur, T., Schwalb, N.K., Renth, F., Temps, F., (2005) Chem. Phys, 313, p. 199
Schwalb., N.K., Temps, F., (2006) Phys. Chem. Chem. Phys, 8, p. 5229
Crespo-Hernández., C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev, 104, pp. 1977-2019
Chen, H., Li, S.H., (2006) J. Chem. Phys, 124, p. 154315
Serrano-Andrés, L., Merchán, M., Borin, A.C., (2008) J. Am. Chem. Soc, 130, p. 2473
Yamazaki, S., Domcke, W., (2008) J. Phys. Chem. A, 112, pp. 7090-7097
Shukla, M.K., Leszczvnski, J., (2008) J. Phys. Chem. B, 112, pp. 5139-5152
Ěerný, J., Spirko, V., Mons, M., Hobza, P., Nachtigallová, D., (2006) Phys. Chem. Chem. Phys, 8, pp. 3059-3065
Lee, Y., Schmitt, M., Kleinermanns, K., Kim, B., (2006) J. Phys. Chem, 110, p. 11819
Kovalenko, S.A., Dobryakov, A.L., Ruthmann, J., Ernsting, N.P., (1999) Phys. Rev. A, 59, pp. 2369-2381
Kovalenko, S.A., Schanz, R., Hennig, H., Ernsting, N.P., (2001) J. Chem. Phys, 115, pp. 3256-3272
Kovalenko, S.A., Lustres, J.L.P., Ernsting, N.P., Rettig, W., (2003) J. Phys. Chem. A, 107, pp. 10228-10232
Pérez-Lustres., J.L., Rodriguez-Prieto, F., Mosquera, M., Senvushkina, T.A., Ernsting, N., Kovalenko, S.A., (2007) J. Am. Chem. Soc, 129, p. 5408
Lowenich, D., Kleinermanns, K., Karunakaran, V., Kovalenko, S.A., (2008) Phptochem. Photobiol, 84, p. 193
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev, 105, p. 4009
Burke, K., Werschnik, J., Gross., E.K.U., (2005) J. Chem, Phvs, 123, p. 62206
Adamo, C., Barone, V., (1999) J. Chem. Phys, 110, pp. 6158-6170
Ernzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys, 110, pp. 5029-5036
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev, 105, p. 2999
Fulscher, M.P., Serrano-Andres, L., Roos, B.O., Am. Chem. Soc. J, (1997), 119, pp. 6168-6176Mennucci, B., Toniolo, A., Tomasi, J., (2001) J. Phys. Chem. A, 105, pp. 7126-7134
Perun, S., Sobolewski, A.L., Domcke, W., (2005) J. Am. Chem. Soc, 127, p. 6257
Improta, R., Barone, V., (2004) J. Am. Chem. Soc, 126, pp. 14320-14321
Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta., R., (2006) J. Am. Chem. Soc, 728, pp. 607-619
Santoro, F., Barone, V., Gustavsson, T., Improta, R., (2006) J. Am. Chem. Soc, 728, pp. 16312-16322
Gustavsson, T., Sarkar, N., Lazzarotto, E., Markovitsi, D., Barone, V., Improta, R., (2006) J. Phys. Chem. B, 110, pp. 12843-12847
Improta, R., (2008) Phys. Chem. Chem. Phys, 10, pp. 2656-2664
Nir, E., Janzen, C., Lmhof, P., Kleinermanns, K., De Vries, M.S., (2001) J. Chem. Phys, 775, p. 4604
Mons, M., Dimicoli, I., Piuzzi, F., Tardivel, B., Elhanine, M., (2002) J. Phys. Chem. A, 106, p. 5088
Seefeld, K., Brause, R., Häber, T., Kleinermanns, K., (2007) J. Phys Chem, 111, p. 6217
Marian, C.M., (2007) J. Phys. Chem. A, 111, p. 1545
Cossi, M., Barone., V., (2001) J. Chem. Phys, 115, pp. 4708-4717
Improta, R., Scalmani, G., Frisch, M., Barone., V., (2007) J. Chem. Phvs, 127, p. 074504
Kampf, G., Kapinos, L.E., Griesser, R., Libbert, B., Sigle, H., (2002) J. Chem. Soc., Perkin Trans. 2, pp. 1320-1327
Cossi, M., Barone, V., (2000) J. Chys. Chem. A, 104, pp. 10614-10622
Frisch, M.J., Gaussian03 Development Version, , revision F.02
Wallingford, CT, 2007
Birks, J.B., Photophysics of aromatic molecules, , Wiley-Interscience: 1970
Sections 3, 4, Figure 4.2
Börresen, H.C., (1963) Acta Chem. Scand, 17, p. 92
Olivucci, M., Lami, A., Santoro, F., (2005) Angew. Chem., Int. Ed, 117, pp. 5248-5251
Improta, R., Santoro, F., (2005) J. Chem. Theory Comput, 1, pp. 215-229
Hunt, P.A., Robb, M.A., (2005) J. Am. Chem. Soc, 127, pp. 5720-5726
Crespo-Hern ndez, C. E., Cohen, B., Kohler, B., (2005) Nature (London), 436, p. 114
Middleton, C. T., De La Harpe, K., Su, C., Law, Y. K., Crespo-Hern ndez, C. E., Kohler, B., (2009) Annu. Rev. Phys. Chem, 60, pp. 217-239
Callis, P. R., (1983) Amu. Rev. Phys. Chem, 34, p. 329
Pecourt, M. J. L., Peon, J., Kohler, B., (2000) Am. Chem. Soc. J., 122, p. 9348
Pecourt. -M., J. L., Peon, J., Kohler., B., (2001) J. Am. Chem. Soc, 123, p. 10370
Hare., P. M., Crespo-Hern ndes, C. E., Kohler, B., (2007) Proc. Natl. Acad. So. U. S. A, 104, p. 435
Schwalb., N. K., Temps, F., (2006) Phys. Chem. Chem. Phys, 8, p. 5229
Crespo-Hern ndez., C. E., Cohen, B., Hare, P. M., Kohler, B., (2004) Chem. Rev, 104, pp. 1977-2019
Chen, H., Li, S. H., (2006) J. Chem. Phys, 124, p. 154315
Serrano-Andr s, L., Merch n, M., Borin, A. C., (2008) J. Am. Chem. Soc, 130, p. 2473
Shukla, M. K., Leszczvnski, J., (2008) J. Phys. Chem. B, 112, pp. 5139-5152
ern, J., Spirko, V., Mons, M., Hobza, P., Nachtigallov, D., (2006) Phys. Chem. Chem. Phys, 8, pp. 3059-3065
Kovalenko, S. A., Dobryakov, A. L., Ruthmann, J., Ernsting, N. P., (1999) Phys. Rev. A, 59, pp. 2369-2381
Kovalenko, S. A., Schanz, R., Hennig, H., Ernsting, N. P., (2001) J. Chem. Phys, 115, pp. 3256-3272
Kovalenko, S. A., Lustres, J. L. P., Ernsting, N. P., Rettig, W., (2003) J. Phys. Chem. A, 107, pp. 10228-10232
P rez-Lustres., J. L., Rodriguez-Prieto, F., Mosquera, M., Senvushkina, T. A., Ernsting, N., Kovalenko, S. A., (2007) J. Am. Chem. Soc, 129, p. 5408
Fulscher, M. P., Serrano-Andres, L., Roos, B. O., Am. Chem. Soc. J, (1997), 119, pp. 6168-6176Mennucci, B., Toniolo, A., Tomasi, J., (2001) J. Phys. Chem. A, 105, pp. 7126-7134
Marian, C. M., (2007) J. Phys. Chem. A, 111, p. 1545
Frisch, M. J., Gaussian03 Development Version, , revision F. 02
Birks, J. B., Photophysics of aromatic molecules, , Wiley-Interscience: 1970
B rresen, H. C., (1963) Acta Chem. Scand, 17, p. 92
Hunt, P. A., Robb, M. A., (2005) J. Am. Chem. Soc, 127, pp. 5720-5726
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 8.58, 5-year impact factor: 8.805
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-69949158122&partnerID=40&md5=dee8189784a4b05a511f694c031baf0e
Keywords: Aqueous Solutions, Biexponential, Biexponential Decay, Broad Bands, Bulk Solvents, Conical Intersection, Femtoseconds, Fluorescence Lifetimes, Guanine Rings, Guanosines, Internal Conversions, Monophosphates, Out-Of-Plane Displacement, Ph Range, Photo-Induced, Photoinduced Dynamics, Protonated, Quantum-Chemical Calculation, Quantum-Mechanical Calculation, Specific Solvation, State-To-State Relaxation, Time-Dependent, Transient Absorption Spectroscopies, Ultra-Fast, Ultrafast Decay, Various Ph, Biomolecules, Excited States, Ground State, Ph Effects, Quantum Chemistry, Water Absorption, Guanosine Phosphate, Article, Light, Proton Transport,
Affiliations:
*** IBB - CNR ***
Department of Chemistry, Humboldt University, Brook-Taylor Street-2, D-12489 Berlin, Germany
Department of Physical Chemistry, Heinrich-Heine-University, University Street-1, D-40225 Düsseldorf, Germany
Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte S. Angelo Via Cintia, I-80126 Napoli, Italy
Istituto Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
References:
Crespo-Hernández, C.E., Cohen, B., Kohler, B., (2005) Nature (London), 436, p. 114
Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernández, C.E., Kohler, B., (2009) Annu. Rev. Phys. Chem, 60, pp. 217-239
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature (London), 441, pp. E7
Schwalb, N., Temps, F.N., (2008) Science, 322, p. 243
Samoylova, E., Radloff, W., Hertel, I.V., Sobolewski, A.L., Domcke, W., (2004) Science, 306, pp. 1765-1768
Callis, P.R., (1983) Amu. Rev. Phys. Chem, 34, p. 329
Fujiwara, T., Kamoshida, Y., Morita, R., Yamashita., M., (1997) J. Photochem. Phptobiol. B: Biol, 41, p. 114
Reuther, A., Iglev, H., Laenen, R., Laubereau., A., (2000) Chem. Phys. Lett, 325, p. 368
Pecourt, M.J.L., Peon, J., Kohler, B., (2000) Am. Chem. Soc. J., 122, p. 9348
Pecourt. -M., J.L., Peon, J., Kohler., B., (2001) J. Am. Chem. Soc, 123, p. 10370
Peon, J., Zewail, A.H., (2001) Chem. Phys. Lett, 348, pp. 255-262
Gustavsson, T., Sharonov, A., Onidas, D., Markovitsi, D., (2002) Chem. Phys. Lett, 356, p. 49
Canuel, C., Mons, M., Piuzzi, F., Tardivel, B., Dimicoli, I., Elhanine, M., (2005) J. Chem. Phys, 122, p. 074316
Cohen, B., Hare, P.M., Kohler, B., (2003) J. Am. Chem. Soc, 125, p. 13594
Hare., P.M., Crespo-Hernándes, C.E., Kohler, B., (2007) Proc. Natl. Acad. So. U. S.A, 104, p. 435
Pancur, T., Schwalb, N.K., Renth, F., Temps, F., (2005) Chem. Phys, 313, p. 199
Schwalb., N.K., Temps, F., (2006) Phys. Chem. Chem. Phys, 8, p. 5229
Crespo-Hernández., C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev, 104, pp. 1977-2019
Chen, H., Li, S.H., (2006) J. Chem. Phys, 124, p. 154315
Serrano-Andrés, L., Merchán, M., Borin, A.C., (2008) J. Am. Chem. Soc, 130, p. 2473
Yamazaki, S., Domcke, W., (2008) J. Phys. Chem. A, 112, pp. 7090-7097
Shukla, M.K., Leszczvnski, J., (2008) J. Phys. Chem. B, 112, pp. 5139-5152
Ěerný, J., Spirko, V., Mons, M., Hobza, P., Nachtigallová, D., (2006) Phys. Chem. Chem. Phys, 8, pp. 3059-3065
Lee, Y., Schmitt, M., Kleinermanns, K., Kim, B., (2006) J. Phys. Chem, 110, p. 11819
Kovalenko, S.A., Dobryakov, A.L., Ruthmann, J., Ernsting, N.P., (1999) Phys. Rev. A, 59, pp. 2369-2381
Kovalenko, S.A., Schanz, R., Hennig, H., Ernsting, N.P., (2001) J. Chem. Phys, 115, pp. 3256-3272
Kovalenko, S.A., Lustres, J.L.P., Ernsting, N.P., Rettig, W., (2003) J. Phys. Chem. A, 107, pp. 10228-10232
Pérez-Lustres., J.L., Rodriguez-Prieto, F., Mosquera, M., Senvushkina, T.A., Ernsting, N., Kovalenko, S.A., (2007) J. Am. Chem. Soc, 129, p. 5408
Lowenich, D., Kleinermanns, K., Karunakaran, V., Kovalenko, S.A., (2008) Phptochem. Photobiol, 84, p. 193
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev, 105, p. 4009
Burke, K., Werschnik, J., Gross., E.K.U., (2005) J. Chem, Phvs, 123, p. 62206
Adamo, C., Barone, V., (1999) J. Chem. Phys, 110, pp. 6158-6170
Ernzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys, 110, pp. 5029-5036
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev, 105, p. 2999
Fulscher, M.P., Serrano-Andres, L., Roos, B.O., Am. Chem. Soc. J, (1997), 119, pp. 6168-6176Mennucci, B., Toniolo, A., Tomasi, J., (2001) J. Phys. Chem. A, 105, pp. 7126-7134
Perun, S., Sobolewski, A.L., Domcke, W., (2005) J. Am. Chem. Soc, 127, p. 6257
Improta, R., Barone, V., (2004) J. Am. Chem. Soc, 126, pp. 14320-14321
Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta., R., (2006) J. Am. Chem. Soc, 728, pp. 607-619
Santoro, F., Barone, V., Gustavsson, T., Improta, R., (2006) J. Am. Chem. Soc, 728, pp. 16312-16322
Gustavsson, T., Sarkar, N., Lazzarotto, E., Markovitsi, D., Barone, V., Improta, R., (2006) J. Phys. Chem. B, 110, pp. 12843-12847
Improta, R., (2008) Phys. Chem. Chem. Phys, 10, pp. 2656-2664
Nir, E., Janzen, C., Lmhof, P., Kleinermanns, K., De Vries, M.S., (2001) J. Chem. Phys, 775, p. 4604
Mons, M., Dimicoli, I., Piuzzi, F., Tardivel, B., Elhanine, M., (2002) J. Phys. Chem. A, 106, p. 5088
Seefeld, K., Brause, R., Häber, T., Kleinermanns, K., (2007) J. Phys Chem, 111, p. 6217
Marian, C.M., (2007) J. Phys. Chem. A, 111, p. 1545
Cossi, M., Barone., V., (2001) J. Chem. Phys, 115, pp. 4708-4717
Improta, R., Scalmani, G., Frisch, M., Barone., V., (2007) J. Chem. Phvs, 127, p. 074504
Kampf, G., Kapinos, L.E., Griesser, R., Libbert, B., Sigle, H., (2002) J. Chem. Soc., Perkin Trans. 2, pp. 1320-1327
Cossi, M., Barone, V., (2000) J. Chys. Chem. A, 104, pp. 10614-10622
Frisch, M.J., Gaussian03 Development Version, , revision F.02
Wallingford, CT, 2007
Birks, J.B., Photophysics of aromatic molecules, , Wiley-Interscience: 1970
Sections 3, 4, Figure 4.2
Börresen, H.C., (1963) Acta Chem. Scand, 17, p. 92
Olivucci, M., Lami, A., Santoro, F., (2005) Angew. Chem., Int. Ed, 117, pp. 5248-5251
Improta, R., Santoro, F., (2005) J. Chem. Theory Comput, 1, pp. 215-229
Hunt, P.A., Robb, M.A., (2005) J. Am. Chem. Soc, 127, pp. 5720-5726
Crespo-Hern ndez, C. E., Cohen, B., Kohler, B., (2005) Nature (London), 436, p. 114
Middleton, C. T., De La Harpe, K., Su, C., Law, Y. K., Crespo-Hern ndez, C. E., Kohler, B., (2009) Annu. Rev. Phys. Chem, 60, pp. 217-239
Callis, P. R., (1983) Amu. Rev. Phys. Chem, 34, p. 329
Pecourt, M. J. L., Peon, J., Kohler, B., (2000) Am. Chem. Soc. J., 122, p. 9348
Pecourt. -M., J. L., Peon, J., Kohler., B., (2001) J. Am. Chem. Soc, 123, p. 10370
Hare., P. M., Crespo-Hern ndes, C. E., Kohler, B., (2007) Proc. Natl. Acad. So. U. S. A, 104, p. 435
Schwalb., N. K., Temps, F., (2006) Phys. Chem. Chem. Phys, 8, p. 5229
Crespo-Hern ndez., C. E., Cohen, B., Hare, P. M., Kohler, B., (2004) Chem. Rev, 104, pp. 1977-2019
Chen, H., Li, S. H., (2006) J. Chem. Phys, 124, p. 154315
Serrano-Andr s, L., Merch n, M., Borin, A. C., (2008) J. Am. Chem. Soc, 130, p. 2473
Shukla, M. K., Leszczvnski, J., (2008) J. Phys. Chem. B, 112, pp. 5139-5152
ern, J., Spirko, V., Mons, M., Hobza, P., Nachtigallov, D., (2006) Phys. Chem. Chem. Phys, 8, pp. 3059-3065
Kovalenko, S. A., Dobryakov, A. L., Ruthmann, J., Ernsting, N. P., (1999) Phys. Rev. A, 59, pp. 2369-2381
Kovalenko, S. A., Schanz, R., Hennig, H., Ernsting, N. P., (2001) J. Chem. Phys, 115, pp. 3256-3272
Kovalenko, S. A., Lustres, J. L. P., Ernsting, N. P., Rettig, W., (2003) J. Phys. Chem. A, 107, pp. 10228-10232
P rez-Lustres., J. L., Rodriguez-Prieto, F., Mosquera, M., Senvushkina, T. A., Ernsting, N., Kovalenko, S. A., (2007) J. Am. Chem. Soc, 129, p. 5408
Fulscher, M. P., Serrano-Andres, L., Roos, B. O., Am. Chem. Soc. J, (1997), 119, pp. 6168-6176Mennucci, B., Toniolo, A., Tomasi, J., (2001) J. Phys. Chem. A, 105, pp. 7126-7134
Marian, C. M., (2007) J. Phys. Chem. A, 111, p. 1545
Frisch, M. J., Gaussian03 Development Version, , revision F. 02
Birks, J. B., Photophysics of aromatic molecules, , Wiley-Interscience: 1970
B rresen, H. C., (1963) Acta Chem. Scand, 17, p. 92
Hunt, P. A., Robb, M. A., (2005) J. Am. Chem. Soc, 127, pp. 5720-5726
Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations
Guanosine monophosphate (GMP) in aqueous solutions has been studied with femtosecond broad-band transient absorption spectroscopy and by quantum-mechanical calculations. The sample was excited at 267 or 287 nm and probed between 270 and 1000 nm with 100 fs resolution, for various pH values between 2 and 7. At pH 2, when the guanine ring is ground-state protonated (GMPH +), we observe isosbestic behavior indicating state-to-state relaxation. The relaxation is biexponential, τ 1 = 0.4 ps, τ 2 = 2.2 ps, and followed by slower internal conversion with τ 3 = 167 ps. For nonprotonated GMP in the pH range 7-4, we find biexponential decay in the region 400-900 nm (τ 1 = 0.22 ps, τ 2 = 0.9 ps), whereas, between 270 and 400 nm, the behavior is triexponential with one growing, τ 1 = 0.25 ps, and two decaying, τ 2 = 1.0 ps, τ 3 = 2.5 ps, components. The excited-state evolution is interpreted with the help of quantumchemical calculations, performed at the time-dependent PBE0 level accounting for bulk solvent effects and specific solvation. The computed dynamics involves L a and L b bright excited states, whereas the n 0π and π σ dark excited states play a minor role. Independent of the pH, the photoinduced evolution involves ultrafast L b→ L a conversion (τ ba « 100 fs) and exhibits the presence of a wide planar plateau on L a. For neutral GMP a barrierless path connects this region to a conical intersection (CI) with the ground state, giving an account of the ultrafast decay of this species. For protonated GMPH + the system evolves into a stable minimum L a min characterized by out-of-plane displacement of NH and CH groups, which explains the longer (167 ps) fluorescence lifetime. © 2009 American Chemical Society.
Guanosine monophosphate (GMP) in aqueous solutions has been studied with femtosecond broad-band transient absorption spectroscopy and by quantum-mechanical calculations. The sample was excited at 267 or 287 nm and probed between 270 and 1000 nm with 100 fs resolution, for various pH values between 2 and 7. At pH 2, when the guanine ring is ground-state protonated (GMPH +), we observe isosbestic behavior indicating state-to-state relaxation. The relaxation is biexponential, τ 1 = 0.4 ps, τ 2 = 2.2 ps, and followed by slower internal conversion with τ 3 = 167 ps. For nonprotonated GMP in the pH range 7-4, we find biexponential decay in the region 400-900 nm (τ 1 = 0.22 ps, τ 2 = 0.9 ps), whereas, between 270 and 400 nm, the behavior is triexponential with one growing, τ 1 = 0.25 ps, and two decaying, τ 2 = 1.0 ps, τ 3 = 2.5 ps, components. The excited-state evolution is interpreted with the help of quantumchemical calculations, performed at the time-dependent PBE0 level accounting for bulk solvent effects and specific solvation. The computed dynamics involves L a and L b bright excited states, whereas the n 0π and π σ dark excited states play a minor role. Independent of the pH, the photoinduced evolution involves ultrafast L b→ L a conversion (τ ba « 100 fs) and exhibits the presence of a wide planar plateau on L a. For neutral GMP a barrierless path connects this region to a conical intersection (CI) with the ground state, giving an account of the ultrafast decay of this species. For protonated GMPH + the system evolves into a stable minimum L a min characterized by out-of-plane displacement of NH and CH groups, which explains the longer (167 ps) fluorescence lifetime. © 2009 American Chemical Society.
Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations
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Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations
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12 Records (11 excluding Abstracts).
Total impact factor: 54.582 (51.423 excluding Abstracts).
Total 5 year impact factor: 57.969 (55.132 excluding Abstracts).
Total impact factor: 54.582 (51.423 excluding Abstracts).
Total 5 year impact factor: 57.969 (55.132 excluding Abstracts).
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