Navegar

Colección

Datos Estadísticas

Artículo

Carrera, A.; Nielsen, I.B.; Çaŗabal, P.; Dedonder, C.; Broquier, M.; Jouvet, C.; Domcke, W.; Sobolewski, A.L. "Biradicalic excited states of zwitterionic phenol-ammonia clusters" (2009) Journal of Chemical Physics. 130(2)
Estamos trabajando para conseguir la versión final de este artículo
Consulte el artículo en la página del editor
Consulte la política de Acceso Abierto del editor

Abstract:

Phenol-ammonia clusters with more than five ammonia molecules are proton transferred species in the ground state. In the present work, the excited states of these zwitterionic clusters have been studied experimentally with two-color pump probe methods on the nanosecond time scale and by ab initio electronic-structure calculations. The experiments reveal the existence of a long-lived excited electronic state with a lifetime in the 50-100 ns range, much longer than the excited state lifetime of bare phenol and small clusters of phenol with ammonia. The ab initio calculations indicate that this long-lived excited state corresponds to a biradicalic system, consisting of a phenoxy radical that is hydrogen bonded to a hydrogenated ammonia cluster. The biradical is formed from the locally excited state of the phenolate anion via an electron transfer process, which neutralizes the charge separation of the ground state zwitterion. © 2009 American Institute of Physics.

Registro:

Documento: Artículo
Título:Biradicalic excited states of zwitterionic phenol-ammonia clusters
Autor:Carrera, A.; Nielsen, I.B.; Çaŗabal, P.; Dedonder, C.; Broquier, M.; Jouvet, C.; Domcke, W.; Sobolewski, A.L.
Filiación:University of Buenos Aires, Ciudad Universitaria, 3er piso, Pab. II, 1428 Buenos Aires, Argentina
Centre Laser, Universit́ Paris Sud (EA. 4127), Universit́ Paris-Sud, 91405 Orsay Cedex, France
Laboratoire de Photophysique Moĺculaire du CNRS (UPR 3361), Bât. 210, Universit́ Paris-Sud, 91405 Orsay Cedex, France
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
Institute of Physics, Polish Academy of Sciences, PL-02668 Warsaw, Poland
Palabras clave:Excited states; Free radical reactions; Ground state; Hydrogen; Ionic strength; Phenols; Ab initio; Ab initio calculations; Ammonia clusters; Ammonia molecules; Charge separation (CS); Electron transfer process (ETP); Pump probes; Small clusters; Structure calculations; Time scaling; Ammonia
Año:2009
Volumen:130
Número:2
DOI: http://dx.doi.org/10.1063/1.3054292
Título revista:Journal of Chemical Physics
Título revista abreviado:J Chem Phys
ISSN:00219606
CODEN:JCPSA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v130_n2_p_Carrera

Referencias:

  • Cheshnovsky, O., Leutwyler, S., (1985) Chem. Phys. Lett., 121, p. 1. , CHPLBC 0009-2614 10.1016/0009-2614(85)87143-8
  • Cheshnovsky, O., Leutwyler, S., (1988) J. Chem. Phys., 88, p. 4127. , JCPSA6 0021-9606 10.1063/1.453820
  • Knochenmuss, R., Cheshnovsky, O., Leutwyler, S., (1988) Chem. Phys. Lett., 144, p. 317. , CHPLBC 0009-2614 10.1016/0009-2614(88)87121-5
  • Droz, T., Knochenmuss, R., Leutwyler, S., (1990) J. Chem. Phys., 93, p. 4520. , JCPSA6 0021-9606 10.1063/1.458693
  • Bürgi, T., Droz, T., Leutwyler, S., (1995) Chem. Phys. Lett., 246, p. 291. , CHPLBC 0009-2614 10.1016/0009-2614(95)01107-K
  • Knochenmuss, R., Fisher, I., Lührs, D.C., (1999) Isr. J. Chem., 39, p. 221. , 0021-2148
  • Lührs, D.C., Knochenmuss, R., Fisher, I., (2000) Phys. Chem. Chem. Phys., 2, p. 4335. , PPCPFQ 1463-9076 10.1039/b005839o
  • Henseler, D., Tanner, C., Frey, H.M., Leutwyler, S., (2001) J. Chem. Phys., 115, p. 4055. , JCPSA6 0021-9606 10.1063/1.1389308
  • Knochenmuss, R., Solntsev, K.M., Tolbert, L.M., (2001) J. Phys. Chem. A, 105, p. 6393. , JPCAFH 1089-5639 10.1021/jp010011u
  • Knochenmuss, R., Fischer, I., (2002) Int. J. Mass Spectrom., 220, p. 343. , 1387-3806
  • Tanner, C., Henseler, D., Leutwyler, S., Connell, L.L., Felker, P.M., (2003) J. Chem. Phys., 118, p. 9157. , JCPSA6 0021-9606 10.1063/1.1568073
  • Steadman, J., Syage, J.A., (1990) J. Phys. Chem., 92, p. 4630. , 0022-3654
  • Syage, J.A., Steadman, J., (1991) J. Chem. Phys., 95, p. 2497. , JCPSA6 0021-9606 10.1063/1.460954
  • Steadman, J., Syage, J.A., (1991) J. Phys. Chem., 95, p. 10326. , JPCHAX 0022-3654 10.1021/j100178a018
  • Syage, J.A., Steadman, J., (1992) J. Phys. Chem., 96, p. 9606. , JPCHAX 0022-3654 10.1021/j100203a009
  • Syage, J.A., (1993) Chem. Phys. Lett., 202, p. 227. , CHPLBC 0009-2614 10.1016/0009-2614(93)85270-X
  • Syage, J.A., (1993) J. Phys. Chem., 97, p. 12523. , JPCHAX 0022-3654 10.1021/j100150a013
  • Syage, J.A., (1995) J. Phys. Chem., 99, p. 5772. , JPCHAX 0022-3654 10.1021/j100016a009
  • Breen, J.J., Peng, L.W., Willberg, D., Heikal, M.A., Cong, P., Zewail, A.H., (1990) J. Chem. Phys., 92, p. 805. , JCPSA6 0021-9606 10.1063/1.458384
  • Kim, S.K., Wang, J.K., Zewail, A.H., (1994) Chem. Phys. Lett., 228, p. 369. , CHPLBC 0009-2614 10.1016/0009-2614(94)00951-1
  • Kim, S.K., Breen, J.J., Willberg, D.M., Peng, L.W., Heikal, A., Syage, J.A., Zewail, A.H., (1995) J. Phys. Chem., 99, p. 7421. , JPCHAX 0022-3654 10.1021/j100019a027
  • Hineman, M.F., Brucker, G.A., Kelley, D.F., Bernstein, E.R., (1992) J. Chem. Phys., 97, p. 3341. , JCPSA6 0021-9606 10.1063/1.462971
  • Hineman, M.F., Kelley, D.F., Bernstein, E.R., (1993) J. Chem. Phys., 99, p. 4533. , JCPSA6 0021-9606 10.1063/1.466053
  • Solgadi, D., Jouvet, C., Tramer, A., (1988) J. Phys. Chem., 92, p. 3313. , JPCHAX 0022-3654 10.1021/j100323a001
  • Jouvet, C., Dedonder-Lardeux, C., Richard-Viard, M., Solgadi, D., Tramer, A., (1990) J. Phys. Chem., 94, p. 5041. , JPCHAX 0022-3654 10.1021/j100375a051
  • Jacoby, C., Hering, P., Schmitt, M., Roth, W., Kleinermanns, K., (1998) Chem. Phys., 239, p. 23. , CMPHC2 0301-0104 10.1016/S0301-0104(98)00251-1
  • Martrenchard-Barra, S., Dedonder-Lardeux, C., Jouvet, C., Solgadi, D., Vervloet, M., Gregoire, G., Dimicoli, I., (1999) Chem. Phys. Lett., 310, p. 173. , CHPLBC 0009-2614 10.1016/S0009-2614(99)00764-2
  • Pino, G.A., Dedonder-Lardeux, C., Gregoire, G., Jouvet, C., Martrenchard, S., Solgadi, D., (1999) J. Chem. Phys., 111, p. 10747. , JCPSA6 0021-9606 10.1063/1.480437
  • Pino, G., Gregoire, G., Dedonder-Lardeux, C., Jouvet, C., Martrenchard, S., Solgadi, D., (2000) Phys. Chem. Chem. Phys., 2, p. 893. , PPCPFQ 1463-9076 10.1039/a908497e
  • Gregoire, G., Dedonder-Lardeux, C., Jouvet, C., Martrenchard, S., Peremans, A., Solgadi, D., (2000) J. Phys. Chem. A, 104, p. 9087. , JPCAFH 1089-5639 10.1021/jp001475f
  • Gregoire, G., Dedonder-Lardeux, C., Jouvet, C., Martrenchard, S., Solgadi, D., (2001) J. Phys. Chem. A, 105, p. 5971. , JPCAFH 1089-5639 10.1021/jp0046039
  • David, O., Dedonder-Lardeux, C., Jouvet, C., (2002) Int. Rev. Phys. Chem., 21, p. 499. , IRPCDL 0144-235X 10.1080/01442350210164287
  • Siebrand, W., Zgierski, M.Z., Smedarchina, Z.K., Vener, M., Kaneti, J., (1997) Chem. Phys. Lett., 266, p. 47. , CHPLBC 0009-2614 10.1016/S0009-2614(96)01506-0
  • Yi, M., Scheiner, S., (1996) Chem. Phys. Lett., 262, p. 567. , CHPLBC 0009-2614 10.1016/S0009-2614(96)01135-9
  • Ishiuchi, S., Saeki, M., Sakai, M., Fujii, M., (2000) Chem. Phys. Lett., 322, p. 27. , CHPLBC 0009-2614 10.1016/S0009-2614(00)00389-4
  • Ishiuchi, S., Sakai, M., Daigoku, K., Tadashi, U., Yamanaka, T., Hashimoto, K., Fujii, M., (2001) Chem. Phys. Lett., 347, p. 87. , CHPLBC 0009-2614 10.1016/S0009-2614(01)01017-X
  • Ishiuchi, S., Daigoku, K., Saeki, M., Hashimoto, K., Sakai, M., Fujii, M., (2002) J. Chem. Phys., 117, p. 7077. , JCPSA6 0021-9606 10.1063/1.1508103
  • Ishiuchi, S., Daigoku, K., Hashimoto, K., Fujii, M., (2004) J. Chem. Phys., 120, p. 3215. , JCPSA6 0021-9606 10.1063/1.1640352
  • Ishiuchi, S., Sakai, M., Daigoku, K., Hashimoto, K., Fujii, M., (2007) J. Chem. Phys., 127, p. 234304. , JCPSA6 0021-9606 10.1063/1.2806182
  • Sobolewski, A.L., Domcke, W., (2001) J. Phys. Chem. A, 105, p. 9275. , JPCAFH 1089-5639 10.1021/jp011260l
  • Sobolewski, A.L., Domcke, W., Dedonder-Lardeux, C., Jouvet, C., (2002) Phys. Chem. Chem. Phys., 4, p. 1093. , PPCPFQ 1463-9076 10.1039/b110941n
  • Domcke, W., Sobolewski, A.L., (2003) Science, 302, p. 1693. , SCIEAS 0036-8075 10.1126/science.1093081
  • Tseng, C.M., Lee, Y.T., Ni, C.-K., (2004) J. Chem. Phys., 121, p. 2459. , JCPSA6 0021-9606 10.1063/1.1781153
  • Nix, M.G.D., Devine, A.L., Cronin, B., Dixon, R.N., Ashfold, M.N.R., (2006) J. Chem. Phys., 125, p. 133318. , JCPSA6 0021-9606 10.1063/1.2353818
  • Ashfold, M.N.R., Cronin, B., Devine, A.L., Dixon, R.N., Nix, M.G.D., (2006) Science, 312, p. 1637. , SCIEAS 0036-8075 10.1126/science.1125436
  • Iqbal, A., Pegg, L.-J., Stavros, V.G., J. Phys. Chem. A (In Press)
  • Grabner, G., Kohler, G., Zechner, J., Getoff, N., (1980) J. Phys. Chem., 84, p. 3000. , JPCHAX 0022-3654 10.1021/j100460a005
  • Bussandri, A., Van Willigen, H., (2002) J. Phys. Chem. A, 106, p. 1524. , JPCAFH 1089-5639 10.1021/jp013526u
  • Tsuji, N., Ishiuchi, S., Sakai, M., Fujii, M., Ebata, T., Jouvet, C., Dedonder-Lardeux, C., (2006) Phys. Chem. Chem. Phys., 8, p. 114. , PPCPFQ 1463-9076 10.1039/b511619h
  • Dedonder-Lardeux, C., Grosswasser, D., Jouvet, C., Martrenchard, S., (2001) PhysChemComm, 4, p. 21. , PHCCFX 1460-2733 10.1039/b100573l
  • Stert, V., Hesse, L., Lippert, H., Schulz, C.P., Radloff, W., (2002) J. Phys. Chem. A, 106, p. 5051. , JPCAFH 1089-5639 10.1021/jp0156120
  • Lippert, H., Stert, V., Hesse, L., Schulz, C.P., Radloff, W., Hertel, I.V., (2002) Eur. Phys. J. D, 20, p. 445. , EPJDF6 1434-6060 10.1140/epjd/e2002-00161-8
  • Dian, B.C., Longarte, A., Zwier, T.S., (2003) J. Chem. Phys., 118, p. 2696. , JCPSA6 0021-9606 10.1063/1.1536616
  • David, O., Dedonder-Lardeux, C., Jouvet, C., Kang, H., Martrenchard, S., Ebata, T., Sobolewski, A.L., (2004) J. Chem. Phys., 120, p. 10101. , JCPSA6 0021-9606 10.1063/1.1704639
  • Tanner, C., Manca, C., Leutwyler, S., (2003) Science, 302, p. 1736. , SCIEAS 0036-8075 10.1126/science.1091708
  • Tanner, C., Manca, C., Leutwyler, S., (2004) Chimia, 58, p. 234. , CHIMAD 0009-4293 10.2533/000942904777678037
  • Manca, C., Tanner, C., Leutwyler, S., (2004) Chimia, 58, p. 287. , 0009-4293
  • Manca, C., Tanner, C., Coussan, S., Bach, A., Leutwyler, S., (2004) J. Chem. Phys., 121, p. 2578. , JCPSA6 0021-9606 10.1063/1.1769371
  • Tanner, C., Manca, C., Leutwyler, S., (2005) J. Chem. Phys., 122, p. 204326. , JCPSA6 0021-9606 10.1063/1.1924410
  • Manca, C., Tanner, C., Leutwyler, S., (2005) Int. Rev. Phys. Chem., 24, p. 457. , IRPCDL 0144-235X 10.1080/01442350500390912
  • Tanner, C., Thut, M., Steinlin, A., Manca, C., Leutwyler, S., (2006) J. Phys. Chem. A, 110, p. 1758. , JPCAFH 1089-5639 10.1021/jp056151b
  • Siebrand, W., Zgierski, M.Z., Smedarchina, Z.K., (1997) Chem. Phys. Lett., 279, p. 377. , CHPLBC 0009-2614 10.1016/S0009-2614(97)01056-7
  • Vener, M.V., Iwata, S., (1998) Chem. Phys. Lett., 292, p. 87. , CHPLBC 0009-2614 10.1016/S0009-2614(98)00663-0
  • Mialocq, J.C., Amouyal, E., Bernas, A., Grand, D., (1982) J. Phys. Chem., 86, p. 3173. , JPCHAX 0022-3654 10.1021/j100213a022
  • Bernas, A., Grand, D., Amouyal, E., (1980) J. Phys. Chem., 84, p. 1259. , JPCHAX 0022-3654 10.1021/j100447a039
  • Peon, J., Hess, G.C., Pecourt, J.M.L., Yuzawa, T., Kohler, B., (1999) J. Phys. Chem. A, 103, p. 2460. , JPCAFH 1089-5639 10.1021/jp9840782
  • Sobolewski, A.L., Domcke, W., (2000) Chem. Phys. Lett., 329, p. 130. , CHPLBC 0009-2614 10.1016/S0009-2614(00)00983-0
  • Fuke, F., Takasu, R., Misaizu, F., (1994) Chem. Phys. Lett., 229, p. 597. , CHPLBC 0009-2614 10.1016/0009-2614(94)01115-X
  • Fuke, F., Takasu, R., (1995) Bull. Chem. Soc. Jpn., 68, p. 3309. , BCSJA8 0009-2673 10.1246/bcsj.68.3309
  • Nonose, S., Taguchi, T., Chen, F.W., Iwata, S., Fuke, K., (2002) J. Phys. Chem. A, 106, p. 5242. , JPCAFH 1089-5639 10.1021/jp0145457
  • Jouvet, C., Lardeux-Dedonder, C., Solgadi, D., (1989) Chem. Phys. Lett., 156, p. 569. , CHPLBC 0009-2614 10.1016/S0009-2614(89)87233-1
  • Dedonder-Lardeux, C., Jouvet, C., Richardviard, M., Solgadi, D., (1990) J. Chem. Phys., 92, p. 2828. , JCPSA6 0021-9606 10.1063/1.457929
  • Jouvet, C., Lardeux-Dedonder, C., Martrenchard, S., Solgadi, D., (1991) J. Chem. Phys., 94, p. 1759. , JCPSA6 0021-9606 10.1063/1.459949
  • Christiansen, O., Koch, H., Jorgensen, P., (1995) Chem. Phys. Lett., 243, p. 409. , CHPLBC 0009-2614 10.1016/0009-2614(95)00841-Q
  • Hattig, C., Weigend, F., (2000) J. Chem. Phys., 113, p. 5154. , JCPSA6 0021-9606 10.1063/1.1290013
  • Woon, D.E., Dunning Jr., T.H., (1993) J. Chem. Phys., 98, p. 1358. , JCPSA6 0021-9606 10.1063/1.464303
  • Ahlrichs, R., Bar, M., Haser, M., Horn, H., Kolmel, C., (1989) Chem. Phys. Lett., 162, p. 165. , CHPLBC 0009-2614 10.1016/0009-2614(89)85118-8
  • Weigend, F., Haser, M., (1997) Theor. Chem. Acc., 97, p. 331. , TCACFW 1432-881X 10.1007/s002140050269
  • Weigend, F., Haser, M., Patzelt, H., Ahlrichs, R., (1998) Chem. Phys. Lett., 294, p. 143. , CHPLBC 0009-2614 10.1016/S0009-2614(98)00862-8
  • Dedonder-Lardeux, C., Grosswasser, D., Jouvet, C., Martrenchard, S., Teahu, A., (2001) Phys. Chem. Chem. Phys., 3, p. 4316. , PPCPFQ 1463-9076 10.1039/b104836h
  • Knochenmuss, R., (1999) Chem. Phys. Lett., 311, p. 439. , CHPLBC 0009-2614 10.1016/S0009-2614(99)00879-9
  • Daigoku, K., Miura, N., Hashimoto, K., (2001) Chem. Phys. Lett., 346, p. 81. , CHPLBC 0009-2614 10.1016/S0009-2614(01)00958-7
  • Sobolewski, A.L., Domcke, W., (2000) Chem. Phys., 259, p. 181. , CMPHC2 0301-0104 10.1016/S0301-0104(00)00203-2
  • Sobolewski, A.L., Domcke, W.G., (2007) J. Phys. Chem. A, 111, p. 11725. , JPCAFH 1089-5639 10.1021/jp075803o
  • Mikami, N., Sato, S., Ishigaki, M., (1993) Chem. Phys. Lett., 202, p. 431. , CHPLBC 0009-2614 10.1016/0009-2614(93)90066-A
  • Sodupe, M., Oliva, A., Bertran, J., (1997) J. Phys. Chem. A, 101, p. 9142. , JPCAFH 1089-5639 10.1021/jp970571m
  • Kim, H.T., Green, R.J., Qian, J., Anderson, S.L., (2000) J. Chem. Phys., 112, p. 5717. , JCPSA6 0021-9606 10.1063/1.481146
  • Re, S., Osamura, Y., (1998) J. Phys. Chem. A, 102, p. 3798. , JPCAFH 1089-5639 10.1021/jp980468c
  • Gŕgoire, G., Mons, M., Dimicoli, I., Dedonder-Lardeux, C., Jouvet, C., Martrenchard, S., Solgadi, D., (1999) J. Chem. Phys., 110, p. 1521. , JCPSA6 0021-9606 10.1063/1.478029
  • Köhler, G., Kittel, G., Getoff, N., (1982) J. Photochem., 18, p. 19. , 0047-2670

Citas:

---------- APA ----------
Carrera, A., Nielsen, I.B., Çaŗabal, P., Dedonder, C., Broquier, M., Jouvet, C., Domcke, W.,..., Sobolewski, A.L. (2009) . Biradicalic excited states of zwitterionic phenol-ammonia clusters. Journal of Chemical Physics, 130(2).
http://dx.doi.org/10.1063/1.3054292
---------- CHICAGO ----------
Carrera, A., Nielsen, I.B., Çaŗabal, P., Dedonder, C., Broquier, M., Jouvet, C., et al. "Biradicalic excited states of zwitterionic phenol-ammonia clusters" . Journal of Chemical Physics 130, no. 2 (2009).
http://dx.doi.org/10.1063/1.3054292
---------- MLA ----------
Carrera, A., Nielsen, I.B., Çaŗabal, P., Dedonder, C., Broquier, M., Jouvet, C., et al. "Biradicalic excited states of zwitterionic phenol-ammonia clusters" . Journal of Chemical Physics, vol. 130, no. 2, 2009.
http://dx.doi.org/10.1063/1.3054292
---------- VANCOUVER ----------
Carrera, A., Nielsen, I.B., Çaŗabal, P., Dedonder, C., Broquier, M., Jouvet, C., et al. Biradicalic excited states of zwitterionic phenol-ammonia clusters. J Chem Phys. 2009;130(2).
http://dx.doi.org/10.1063/1.3054292