The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study(270 views visite) Improta R, Ferrante C, Bozio R, Barone V
Keywords Parole chiave: Porphyrin, Solvent, Article, Chemical Structure, Chemistry, Computer Simulation, Electron, Photochemistry, Quantum Theory, Hydrogen-Ion Concentration, Models, Molecular, Time Factors,
Affiliations Affiliazioni: *** IBB - CNR ***
Dipartimento di Chimica and INSTM-Village, Università Federico II, Complesso Monte S. Angelo, via Cintia, I-80126 Napoli, Italy Istituto Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, Napoli I-80134, Italy Department of Chemical Sciences, University of Padua, Via Marzolo, 1, I-35131 Padova, Italy Scuola Normale Superiore, piazza dei Cavalieri 7, Pisa I-56126, Italy Istituto per i Processi Chimico-Fisici-CNR, Area della Ricerca Del CNR, Via Moruzzi 1, Pisa I-56124, Italy
References Riferimenti: (1995) Recent Advances in Density Functional Methods, Ed., , M. E. Casida and D. P. Chong, World Scientific, Singapor
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J. Chem. Phys., 123, p. 62206
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev., 105, p. 4009
Grimme, S., Neese, F., (2007) J. Chem. Phys., 127, p. 154116
Miertus, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, p. 2999
Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, p. 4708
Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J. Chem. Phys., 124, p. 094107
Munoz-Losa, A., Curutchet, C., Galvan, I.F., Mennucci, B., (2008) J. Chem. Phys., 129, p. 034104
Jacquemin, D., Perpete, E.A., Ciofini, I., Adamo, C., (2008) Theor. Chem. Acc., 120, p. 405
Barone, V., Improta, R., Rega, N., (2008) Acc. Chem. Res., 41, p. 605
Schafer, A., Klamt, A., Sattel, D., Lohrenz, J., Eckert, F., (2000) Phys. Chem. Chem. Phys., 2, p. 2187
Improta, R., Barone, V., Santoro, F., (2007) Angew. Chem., Int. Ed., 46, p. 405
Santoro, F., Improta, R., Lami, A., Bloino, J., Barone, V., (2007) J. Chem. Phys., 126, p. 084509
Santoro, F., Lami, A., Improta, R., Barone, V., (2007) J. Chem. Phys., 126, p. 184102
Improta, R., Frisch, M.J., Scalmani, G., Barone, V., (2007) J. Chem. Phys., 127, p. 74504
Cammi, R., Corni, S., Mennucci, B., Tomasi, J., (2005) J. Chem. Phys., 122, p. 104513
Corni, S., Cammi, R., Mennucci, B., Tomasi, J., (2005) J. Chem. Phys., 123, p. 134512
Grozema, F.C., Telesca, R., Jonkman, H.T., Siebbeles, L.D.A., Snijders, J.G., (2001) J. Chem. Phys., 115, p. 10014
Cammi, R., Frediani, L., Mennucci, B., Ruud, K., (2003) J. Chem. Phys., 119, p. 5818
Ruud, K., Mennucci, B., Cammi, R., Frediani, L., (2004) J. Comput. Meth. Sci. Eng., 4, p. 381
Collini, E., Ferrante, C., Bozio, R., (2007) J. Phys. Chem. C, 111, p. 18636
Chen, D.-M., He, T., Cong, D.-F., Zhang, Y.-H., Liu, F.-C., (2001) J. Phys. Chem. A, 105, p. 3981
Misawa, K., Kobayashi, T., (1995) Nonlinear Opt., 14, p. 103
Ogawaa, T., Tokunaga, E., Kobayashi, T., (2005) Chem. Phys. Lett., 410, p. 18
Akins, D.L., Zhu, H.-R., Guo, C., (1996) J. Phys. Chem., 100, p. 5420
(1978) The Porphyrins, 1-7. , D. Dolphin, Academic Press
Alberts, B., Johnson, A., Lewis, J., Raff, M., Walter, P., (2002) Molecular Biology of the Cell, , Garland Science, New York
Spangler, C.W., Starkey, J.R., Meng, F., Gong, A., Drobizhev, M., Rebane, A., Moss, B., (2005) Optical Methods for Tumor Treatment and Detection: Mechanisms and Techniques, in Photodynamic Therapy XIV, , SPIE, Bellingham, WA
Kim, D., Osuka, A., (2004) Acc. Chem. Res., 37, p. 735
Grozema, F. C., Telesca, R., Jonkman, H. T., Siebbeles, L. D. A., Snijders, J. G., (2001) J. Chem. Phys., 115, p. 10014
Chen, D. -M., He, T., Cong, D. -F., Zhang, Y. -H., Liu, F. -C., (2001) J. Phys. Chem. A, 105, p. 3981
Akins, D. L., Zhu, H. -R., Guo, C., (1996) J. Phys. Chem., 100, p. 5420
(1978) The Porphyrins, 1-7. , D. Dolphin, Academic Press
Spangler, C. W., Starkey, J. R., Meng, F., Gong, A., Drobizhev, M., Rebane, A., Moss, B., (2005) Optical Methods for Tumor Treatment and Detection: Mechanisms and Techniques, in Photodynamic Therapy XIV, , SPIE, Bellingham, WA
Campbell, W. M., Burrell, A. K., Officer, D. L., Jolley, K. W., (2004) Coord. Chem. Rev., 248, p. 1363
Haycock, R. A., Yartsev, A., Michelsen, U., Sundstrom, V., Hunter, C. A., (2000) Angew. Chem., 39, p. 3616
Gwaltney, S. R., Bartlett, R. J., (1998) J. Chem. Phys., 108, p. 6790
Van Gisbergen, S. J. A., Rosa, A., Ricciardi, G., Baerends, E. J., (1999) J. Chem. Phys., 111, p. 2499
Zhang, Y. -H., Ruan, W. -J., Li, Z. -H., Wu, Y., Zheng, J. -Y., (2005) Chem. Phys., 315, p. 201
Cai, Z. -L., Crossley, M. J., Reimers, J. R., Kobayashi, R., Amos, R. D., (2006) J. Phys. Chem. B, 110, p. 15624
Day, P. N., Nguyen, K. A., Pachter, P., (2008) J. Chem. Theory Comput., 4, p. 1094
Yanai, T., Tew, D. B., Handy, N. C., (2004) Chem. Phys. Lett., 393, p. 51
Perdew, J. P., Burke, K., Ernzerhof, M., (1996) Phys. Rev. Lett., 77, p. 3865
Frisch, M. J., (2006) Gaussian Development Version F. 06, , Gaussian Inc
Silvers, S. J., Tulinsky, A., (1967) J. Am. Chem. Soc., 89, p. 3331
Wertsching, A. K., Koch, A. S., Dimagno, S. -G., (2001) J. Am. Chem. Soc., 123, p. 3932
Nguyen, K. A., Day, P. N., Pachter, R., Tretiak, S., Chernyak, V., Mukamel, A., (2002) J. Phys. Chem. A, 106, p. 10285
Cave, R. J., Newton, M. D., (1996) Chem. Phys. Lett., 249, p. 15
Newton, M. D., (1991) Chem. Rev., 91, p. 767
The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study
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