Hydratacja protonu w roztworze wodnym

Śmiechowski, M.; Stangret, J.

Artykuł - szczegóły

Tytuł artykułu

Hydratacja protonu w roztworze wodnym

Autorzy

Śmiechowski M. , Stangret J.

Wybrane pełne teksty z tego czasopisma

Identyfikatory

Warianty tytułu

Proton hydration in aqueous solution

Języki publikacji

Abstrakty

The phenomena behind proton hydration in aqueous solution are still far from being fully understood and have attracted scientific attention for many decades now. This article reviews the current state of studies of this seemingly simple system, focusing particularly on the most popular techniques applied: computational chemistry, vibrational spectroscopy and diffraction methods. The picture of proton transfer via the Grotthuss mechanism, has lately been critically examined basing on up-to-date experimental and computational data, but it is still found relevant in biological systems, e.g. in proton-transferring proteins. The lengthy and heated debate on the identity of hydrated proton in an aqueous solution has focused for many years on two isomeric structures, the so-called "Eigen cation" and "Zundel cation". The findings of the last decade have proved that these two forms coexist in a dynamic equilibrium, and that the answer to this problem may as well be in the middle. The most recent reports from the last few years are reviewed here in considerable detail.

Słowa kluczowe

hydratacja protonu roztwór wodny wiązanie wodorowe spektroskopia oscylacyjna metoda dyfrakcyjna obliczenia kwantowo-mechaniczne

proton hydration aqueous solutions hydrogen bonding vibrational spectroscopy diffraction methods quantum-mechanical calculations

Wydawca

Polskie Towarzystwo Chemiczne

Czasopismo

Wiadomości Chemiczne

Rocznik

2007

Tom

[Z] 61, 1-2

Strony

99--116

Opis fizyczny

bibliogr. 81 poz., wykr.

Twórcy

autor

Śmiechowski M.

autor

Stangret J.

Katedra Chemii Fizycznej, Wydział Chemiczny, Politechnika Gdańska, ul. Gabriela Narutowicza 11/12, 80-952 Gdańsk

Bibliografia

[1] R.P. Bell, The Proton in Chemistry, Cornell University Press, New York, 1959.
[2] A. Hulanicki, Reakcje kwasów i zasad w chemii analitycznej, Wyd. 3, Wydawnictwa Naukowo--Techniczne, Warszawa, 1992.
[3] R.P. Bell, Acid-Base Catalysis, Clarendon Press, Oxford, 1941.
[4] P. Ädelroth, Biochim. Biophys. Acta, 2006, 1757, 867.
[5] (a) M.E. Tuckerman, K. Laasonen, M. Sprik, M. Parrinello, J. Phys. Chem., 1995, 99, 5749; (b) D. Marx, M.E. Tuckerman, J. Hutter, M. Parrinello, Nature, 1999, 397, 601.
[6] P.A. Giguere, J. Chem. Edu., 1979, 56, 571.
[7] (a) N. Agmon, Chem. Phys. Lett., 1995, 244, 456; (b) S. Cukierman, Biochim. Biophys. Acta, 2006, 1757, 876.
[8] C.J.T. de Grotthuss, Ann. Chim., 1806, 58, 54; Biochim. Biophys. Acta, 2006, 1757, 871.
[9] M.E. Tuckerman, D. Marx, M.L. Klein, M. Parrinello, Science, 1997, 275, 817.
[10] (a) E. Wicke, M. Eigen, T. Ackermann, Z. Phys. Chem. (N.F.), 1954, 1, 340; (b) M. Eigen, L.D. Maeyer, Proc. R. Soc. London, 1958, 247, 505; (c) M. Eigen, Angew. Chem. Int. Ed., 1964, 3, 1.
[11] (a) G. Zundel, H. Metzger, Z. Phys. Chem. (N.F.), 1968, 58, 225; (b) G. Zundel, Hydration and Intermolecular Interaction, Academic Press, New York, 1969; (c) G. Zundel, [w:] The Hydrogen Bond . Recent Developments in Theory and Experiments, Vol. 2, red. P. Schuster, G. Zundel, C. Sandorfy, North-Holland Publishing Co., Amsterdam, 1976, 683.
[12] (a) P.A. Giguere, Chem. Phys., 1981, 60, 421; (b) N.B. Librovich, V.P. Sakun, N.D. Sokolov, Chem. Phys., 1981, 60, 425.
[13] Y. Kim, Y. Kim, Chem. Phys. Lett., 2002, 362, 419.
[14] A. Khan, Chem. Phys. Lett., 2000, 319, 440.
[15] P. Intharathep, A. Tongraar, K. Sagarik, J. Comput. Chem., 2006, 27, 1723.
[16] J.M. Heuft, E.J. Meijer, Phys. Chem. Chem. Phys., 2006, 8, 3116.
[17] D. Wei, D.R. Salahub, J. Chem. Phys., 1997, 106, 6086.
[18] H.-P. Cheng, J. Phys. Chem. A, 1998, 102, 6201.
[19] (a) G.A. Voth, Acc. Chem. Res., 2006, 39, 143; (b) U.W. Schmitt, G.A. Voth, J. Chem. Phys., 1999, 111, 9361.
[20] R. Vuilleumier, D. Borgis, Chem. Phys. Lett., 1998, 284, 71; J. Chem. Phys., 1999, 111, 4251.
[21] J.-C. Jiang, Y.-S. Wang, H.-C. Chang, S. H. Lin, Y. T. Lee, G. Niedner-Schatteburg, H.-C. Chang, J. Am. Chem. Soc., 2000, 122, 1398.
[22] J.M. Headrick, E.G. Diken, R.S. Walters, N.I. Hammer, R.A. Christie, J. Cui, E.M. Myshakin, M.A. Duncan, M.A. Johnson, K.D. Jordan, Science, 2005, 308, 1765.
[23] J. Kim, U.W. Schmitt, J.A. Gruetzmacher, G.A. Voth, N.E. Scherer, J. Chem. Phys., 2002, 116, 737.
[24] S. Woutersen, H.J. Bakker, Phys. Rev. Lett., 2006, 96, art. nr 138305.
[25] (a) C.D. Cappa, J.D. Smith, B.M. Messer, R.C. Cohen, R.J. Saykally, J. Phys. Chem. B, 2006, 110, 1166; (b) M. Cavalleri, L.-A. Näslund, D.C. Edwards, P. Wernet, H. Ogasawara, S. Myneni, L. Ojamäe, M. Odelius, A. Nilsson, L.G.M. Pettersson, J. Chem. Phys., 2006, 124, art. nr 194508.
[26] D. Asthagiri, L.R. Pratt, J.D. Kress, Proc. Natl. Acad. Sci. U.S.A., 2005, 102, 6704.
[27] M. .Miechowski, J. Stangret, J. Chem. Phys., 2006, 125, art. nr 204508.
[28] A. Botti, F. Bruni, M.A. Ricci, A.K. Soper, J. Chem. Phys., 2006, 124, art. nr 014508.
[29] M.D. Newton, S. Ehrenson, J. Am. Chem. Soc., 1971, 93, 4971.
[30] Y. Xie, R.B. Remington, H.F. Schaefer III, J. Chem. Phys., 1994, 101, 4878.
[31] A.T. Pudzianowski, J. Chem. Phys., 1995, 102, 8029.
[32] F.C. Pickard IV, E.K. Pokon, M.D. Liptak, G.C. Shields, J. Chem. Phys., 2005, 122, art. nr 024302.
[33] I. Tunon, E. Silla, J. Bertran, J. Phys. Chem., 1993, 97, 5547.
[34] S. Sadhukhan, D. Munoz, C. Adamo, G.E. Scuseria, Chem. Phys. Lett., 1999, 306, 83.
[35] D. Wei, D.R. Salahub, J. Chem. Phys., 1994, 101, 7633.
[36] A.T. Pudzianowski, J. Phys. Chem., 1996, 100, 4781.
[37] G. Corongiu, R. Kelterbaum, E. Kochanski, J. Phys. Chem., 1995, 99, 8038.
[38] M.C. Vicens, G.E. Lopez, J. Comput. Chem., 2000, 21, 63.
[39] R. Kelterbaum, E. Kochanski, J. Phys. Chem., 1995, 99, 12493.
[40] R. Iftimie, M.E. Tuckerman, Angew. Chem. Int. Ed., 2006, 45, 1144.
[41] M.C.R. Symons, J. Am. Chem. Soc., 1980, 102, 3982.
[42] M. .miechowski, J. Stangret, wyniki nieopublikowane.
[43] T. Ackermann, Z. Phys. Chem. (N. F.), 1961, 27, 253.
[44] (a) G. Zundel, G.-M. Schwab, J. Phys. Chem., 1963, 67, 771; (b) I. Kampschulte-Scheuing, G. Zundel, J. Phys. Chem., 1970, 74, 2363; (c) D. Schiöberg, G. Zundel, Can. J. Chem., 1976, 58, 2193; (d) M. Leuchs, G. Zundel, J. Phys. Chem., 1978, 82, 1632; Can. J. Chem., 1980, 58, 311.
[45] R. Janoschek, E.G. Weidemann, H. Pfeiffer, G. Zundel, J. Am. Chem. Soc., 1972, 94, 2387.
[46] N.B. Librovich, V.P. Sakun, N.D. Sokolov, Chem. Phys., 1979, 39, 351.
[47] J.-J. Max, C. Chapados, Appl. Spectrosc., 1998, 52, 963; Can. J. Chem., 2000, 78, 64.
[48] (a) J.-J. Max, C. Ménichelli, C. Chapados, J. Phys. Chem. A, 2000, 104, 2845; (b) C. Ménichelli, J.-J. Max, C. Chapados, Can. J. Chem., 2000, 78, 1128.
[49] P. Rhine, D. Williams, G.M. Hale, M.R. Querry, J. Phys. Chem., 1974, 78, 1405.
[50] K. Zawada, P. Dryjański, J. Mol. Struct., 2001, 560, 283.
[51] W.R. Busing, D.F. Hornig, J. Phys. Chem., 1961, 65, 284.
[52] P.A. Giguere, J.G. Guillot, J. Phys. Chem., 1982, 86, 3231.
[53] C.I. Ratcliffe, D.E. Irish, Can. J. Chem., 1984, 62, 1134.
[54] (a) G. Ritzhaupt, J.P. Devlin, J. Phys. Chem., 1991, 95, 90; (b) K.L. Nash, K.J. Sully, A.B. Horn, J. Phys. Chem. A, 2001, 105, 9422.
[55] H.J. Bakker, H.-K. Nienhuys, Science, 2002, 297, 587.
[56] E.G. Diken, J.M. Headrick, J.R. Roscioli, J.C. Bopp, M.A. Johnson, A.B. McCoy, J. Phys. Chem. A, 2005, 109, 1487.
[57] Y. Marechal, A. Witkowski, J. Chem. Phys., 1968, 48, 3697.
[58] A. Witkowski, J. Chem. Phys., 1967, 47, 3645.
[59] D. Chamma, O. Henri-Rousseau, Chem. Phys., 1998, 229, 37, 51.
[60] R.C. Taylor, G.L. Vidale, J. Am. Chem. Soc., 1956, 78, 5999.
[61] M. .miechowski, E. Goj³o, J. Stangret, J. Phys. Chem. B, 2004, 108, 15938.
[62] F.S. Lee, G.B. Carpenter, J. Phys. Chem., 1959, 63, 279.
[63] J.-O. Lundgren, I. Olovsson, [w:] The Hydrogen Bond - Recent Developments in Theory and Experiments, Vol. 2, red. P. Schuster, G. Zundel, C. Sandorfy, North-Holland Publishing Co., Amsterdam, 1976, 495.
[64] (a) I. Olovsson, J. Chem. Phys., 1968, 49, 1063; (b) J.-O. Lundgren, I. Olovsson, Acta Cryst., 1967, 23, 966, 971.
[65] R. Attig, J.M. Williams, Angew. Chem., 1976, 88, 507.
[66] (a) J.-O. Lundgren, I. Olovsson, J. Chem. Phys., 1968, 49, 1068; (b) T. Gustafsson, Acta Cryst., 1987, C43, 816; (c) A. Flemström, T.K. Hirsch, L. Sehlstedt, S. Lidin, L. Ojamäe, Solid State Sci., 2002, 4, 1017; (d) Z. Xie, R. Bau, C.A. Reed, Inorg. Chem., 1995, 34, 5403; (e) B. Krebs, S. Bonmann , K. Erpenstein, Z. Naturforsch., 1991, 46B, 919; (f) B. Krebs, S. Bonmann, K. Gretenkord, Z. Naturforsch., 1992, 47B, 93; (g) A. Merschenz-Quack, D. Mootz, Acta Cryst., 1990, C46, 1478.
[67] T. Gustafsson, Acta Cryst., 1988, C44, 229.
[68] D. Steinborn, O. Gravenhorst, H. Hartung, U. Baumeister, Inorg. Chem., 1997, 36, 2195.
[69] T. Head-Gordon, G. Hura, Chem. Rev., 2002, 102, 2651.
[70] R. Triolo, A.H. Narten, J. Chem. Phys., 1975, 63, 3624.
[71] H.-G. Lee, Y. Matsumoto, T. Yamaguchi, H. Ohtaki, Bull. Chem. Soc. Jpn., 1983, 56, 443.
[72] Y. Kameda, T. Usuki, O. Uemura, Israel J. Chem., 1999, 39, 283.
[73] S.C. Lee, R. Kaplow, Science, 1970, 169, 477.
[74] D.L. Wertz, J. Solution Chem., 1972, 1, 489.
[75] (a) R. Caminiti, Chem. Phys. Lett., 1983, 96, 390; (b) R. Caminiti, P. Cucca, Chem. Phys. Lett., 1984, 108, 51.
[76] N. Ohtomo, K. Arakawa, M. Takeuchi, T. Yamaguchi, H. Ohtaki, Bull. Chem. Soc. Jpn., 1981, 54, 1314.
[77] A. Botti, F. Bruni, S. Imberti, M.A. Ricci, A.K. Soper, J. Chem. Phys., 2004, 121, 7840.
[78] P. Wernet, D. Nordlund, U. Bergmann, M. Cavalleri, M. Odelius, H. Ogasawara, L.-A. Näslund, T.K. Hirsch, L. Ojamäe, P. Glatzel, L.G.M. Pettersson, A. Nilsson, Science, 2004, 304, 995.
[79] K.-D. Kreuer, Chem. Mater., 1996, 8, 610.
[80] M. .Miechowski, I. Persson, wyniki nieopublikowane.
[81] M. .Miechowski, J. Stangret, Materiały zjazdowe XLIX Zjazdu PTCh i SITPChem, Gdańsk, 2006, 132, S5-W3.

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Bibliografia

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