Struktura elektronowa anionów związanych dipolowo

Skurski, Piotr; Gutowski, M.

Artykuł - szczegóły

Tytuł artykułu

Struktura elektronowa anionów związanych dipolowo

Autorzy

Skurski Piotr , Gutowski M.

Wybrane pełne teksty z tego czasopisma

Identyfikatory

Warianty tytułu

Electronic structure of dipole-bound anions

Języki publikacji

Abstrakty

Recent photodetachment, photoelectronspectroscopy, and charge transfer collision studies of dipole-bound anions revealed deficiencies in theoretical predictions based on the electrostatic model. The experimental electron binding energies were much larger than theoretical estimations obtained at the Koopmans' theorem or self-consistent field levels. Moreover, photoelectron spectra of dipole-bound anions frequently display vibrational structure whereas a common view was that a dipole-bound anion may be regarded as a neutral molecule with the excess distant electron tethered so weakly to the dipole that the equilibrium geometries of the neutral and the anion are practically the same and therefore no vibrational structure was anticipated on the basis of Franck-Condon factors. In this review we summarize our recent work on electron binding energies in dipole-bound anions as well as on molecular relaxation upon electron attachment. We demonstrate that electron correlation effects contribute significantly to electron binding energies. In particular the dispersion interaction between the excess electron and electrons of the neutral molecule was recognized as a sizable stabilizing contribution. The molecular relaxation upon electron attachment was found to be significant and clearly detectable for hydrogen bonded clusters and small but still noticeable for some valence bonded polar molecules.

Słowa kluczowe

aniony związane dipolowo energia wiązania elektronu

Wydawca

Polskie Towarzystwo Chemiczne

Czasopismo

Wiadomości Chemiczne

Rocznik

1999

Tom

[Z] 53, 11-12

Strony

759--786

Opis fizyczny

Bibliogr. 118 poz., tab., wykr.

Twórcy

autor

Skurski Piotr

Wydział Chemii Uniwersytetu Gdańskiego, ul. J. Sobieskiego 18, 80-952, Gdańsk
Department of Chemistry, University of Utah, Salt Lake City, UT 84112, USA
Pacific Northwest National Laboratory Richland. WA 99352, USA

autor

Gutowski M.

Wydział Chemii Uniwersytetu Gdańskiego, ul. J. Sobieskiego 18, 80-952, Gdańsk

Wydział Chemii Uniwersytetu Gdańskiego, ul. J.Sobieskiego 18, 80-952 Gdańsk. Department of Chemistry, University of Utah, Salt Lake City, UT 84112, USA

Bibliografia

[1] E. Fermi, E. Teller, Phys. Rev., 1947, 72, 399.
[2] A. S. Wightman, ibid., 1950, 77, 521.
[3] R. F. Wallis, R. Herman, H. W. Milnes, J. Mol. Spect., 1960, 4, 51.
[4] M. H. Mittleman, V. P. Myerscough, Phys. Lett., 1966, 23, 545.
[5] W. B. Brown, R. E. Roberts, J. Chem. Phys., 1967, 46, 2006.
[6] J. E. Turner, ibid., 1977, 45, 758 oraz prace cytowane tamże.
[7] W. R. Garrett, Phys. Rev. A, 1971, 3, 961.
[8] W. R. Garrett, J. Chem. Phys., 1980, 73, 5721.
[9] W. R. Garrett, ibid., 1982, 77, 3666.
[10] K. D. Jordan, W. Luken, ibid., 1976, 64, 2760.
[11] D. C. Clary, J. Phys. Chem., 1988, 92, 3173.
[12] J. Simons, J. Chem. Phys., 1989, 91, 6858.
[13] J. Simons, K. D. Jordan, Chem. Rev., 1987, 535.
[14] D. R. Bates, Adv. At., Mol., Opt. Phys., 1991, 27, 1.
[15] K. Kalcher, A. F. Sax, Chem. Rev., 1994, 94, 2219.
[16] A. H. Zimmerman, J. I. Brauman, J. Chem. Phys., 1977, 66, 5823.
[17] R. L. Jackson, A. H. Zimmerman, J. I. Brauman, ibid., 1979, 71, 2088.
[18] R. L. Jackson, P. C. Hiberty, J. I. Brauman, ibid., 1981, 74, 3705.
[19] J. Marks, P. B. Comita, J. I. Brauman, J. Am. Chem. Soc., 1985, 107, 3718.
[20] J. Marks, D. M. Wetzel, P. B. Comita, J. I. Brauman, J. Chem. Phys.. 1986, 84, 5284.
[21] D. M. Wetzel, J. I. Brauman, ibid., 1989, 90, 68.
[22] E. A. Brinkman, S. Berger, J. Marks, J. I. Brauman, ibid., 1993, 99, 7586.
[23] B. C. Romer, J. I. Brauman, J. Am. Chem. Soc., 1997, 119, 2054.
[24] R. D. Mead, K. R. Lykke, W. C. Lineberger, J. Marks, J. I. Brauman, J. Chem. Phys., 1984, 81, 4883.
[25] T. Andersen, K. R. Lykke, D. M. Neumark, W. C. Lineberger, ibid., 1987, 86, 1858.
[26] K. R. Lykke, D. M. Neumark, T. Andersen, V. J. Trapa, W. C. Lineberger, ibid, 1987, 87, 6442.
[27] J. Marks, J. I. Brauman, R. D. Mead, K. R. Lykke, W. C. Lineberger, ibid., 1988, 88, 6785.
[28] A S. Mullin, K. K. Murray, C. P. Schultz, D. M. Szaflarski, W. C. Lineberger, Chem. Phys., 1992, 166, 207.
[29] A. S. Mullin, K. K. Murray, C. P. Schultz, W. C. Lineberger, J. Phys. Chem., 1993, 97, 10281.
[30] K. Yokoyama, G. W. Leach, J. B. Kim, W. C. Lineberger, J. Chem. Phys., 1996, 105, 10696.
[31] K. Yokoyama, G. W. Leach, J. B. Kim, W. C. Lineberger, A. I. Boldyrev, M. Gutowski, ibid., 1996, 105, 10706.
[32] T. Sugiura, A. Arakawa, [w:] Proceedings of the International Conference on Mass Spec¬troscopy, Univ. of Tokyo, Tokyo 1970 s. 848.
[33] J. A. D. Stockdale, F. J. Davis, R. N. Compton, C. E. Klots, J. Chem. Phys., 1974, 60, 4279.
[34] R. N. Compton, P. W. Reinhardt, C. D. Cooper, ibid., 1978, 68, 4360.
[35] C. Desfranpois, N. Khelifa, A. Lisfi, J. P. Schermann, J. G. Eaton, K H. Bowen, ibid., 1991, 95, 7760.
[36] C. Desfranęois, B. Baillon, J. P. Schermann, S. T. Arnold, J. H. Hendricks, K. H. Bowen, Phys. Rev. Lett., 1994, 72, 48.
[37] C. Desfranpois, H. Abdoul-Carime, N. Khelifa, J. P. Schermann, ibid., 1994,73,2436.
[38] C. Desfranpois, H. Abdoul-Carime, C. Adjouri, N. Khelifa, J. P. Schermann, Europhys. Lett., 1994, 26, 25.
[39] C. Desfranpois, H. Abdoul-Carime, N. Khelifa, J. P. Schermann, V. Brenner, P. Millie, J. Chem. Phys., 1995, 102, 4952.
[40] C. Desfranpois, H. Abdoul-Carime, C. P. Schultz, J. P. Schermann, Science, 1995, 269, 1707.
[41] C. Desfranpois, Phys. Rev. A, 1995, 51, 3667.
[42] C. Desfranpois, H. Abdoul-Carime, J. P. Schermann, J. Chem. Phys., 1996,104, 779Z
[43] R. N. Compton, H. S. Carman, Jr., C. Desfranpois, H. Abdoul-Carime, J. P. Scher¬mann, J. H. Hendricks, S. A. Lyapustina, K. H. Bowen, ibid., 1996, 105, 3472.
[44] C. Desfranęois, H. Abdoul-Carime, J- P. Schermann, Int. J. Mod. Phys. B, 1996,10, 1339.
[45] H. Abdoul-Carime, A. Wakisaka, Y. Bouteiller, C. Desfranęois, J. P. Scher¬mann, Z. Phys. D, 1997, 40, 55.
[46] H. Abdoul-Carime, W. Wakisaka, J. Flügge, H. Takeo, V. Periquet, J. P. Scher¬mann, C. Desfranęois, J. Chem. Soc., Faraday Trans., 1997, 93, 4289.
[47] C. Desfranęois, V. Periquet, Y. Boutellier, J. P. Schermann, J. Phys. Chem. A, 1998, 102, 1274.
[48] C. Desfranęois, V. Periquet, C. Carles, J. P. Schermann, L. Adamowicz, Chem. Phys., 1998, 239, 475.
[49] C. E. H. Dessent, C. G. Bailey, M. A. Johnson, J. Chem. Phys., 1995, 103, 2006.
[50] C. E. H. Dessent, J. Kim, M. A. Johnson, J. Phys. Chem., 1996, 100, 12.
[51] D. Serxner, C. E. H. Dessent, M. A. Johnson, J. Chem. Phys., 1996, 105, 7231.
[52] C. E. H. Dessent, J. Kim, M. A. Johnson, Acc. Chem. Res., 1998, 31, 527.
[53] K. H. Bowen, J. G. Eaton, [w:] The Structure of Small Molecules and Ions, R. Naaman Z. Vager Ed., Plenum, New York, 1988; S. T. Arnold, J. G. Eaton, D. Patel-Misra, H. W. Sark as, K. H. Bowen, [w:] Ion and Cluster Ion Spectroscopy and Structure, J. P. Maier Ed., Elsevier, Amsterdam 1989.
[54] J. V. Coe, G. H. Lee, J. G. Eaton, S. T. Arnold, H. W. Sarkas, K. H. Bowen, Jr., J. Chem. Phys., 1990, 92, 3980.
[55] J. H. Hendricks, H. L. de Clercq, S. A. Lyapustina, C. A. Fancher, T. P. Lippa, J. M. Collins, S. T. Arnold, G. H. Lee, K. H. Bowen, [w:] Proceedings of the Yamada Conference No. XLIII, May 1995, Structure and Dynamics of Clusters, Universal Academy Press, Tokyo 1995.
[56] JH.Hendricks, S. A. Lyapustina, H. L. de Clercq, J.T. Snodgrass, K. H. Bowen, Jr., J. Chem. Phys. 1996, 104, 7788.
[57] A. W. Castleman, Jr., K. H. Bowen, Jr., J. Phys. Chem. 1996, 100, 12911.
[58] J. H. Hendricks, H. L. de Clercq, S. A. Lyapustina, K. H. Bowen, Jr., J. Chem. Phys., 1997, 107, 2962.
[59] K. H. Bowen, Jr., wyniki nie publikowane.
[60] J. H. Hendricks, S. A. Lyapustina, H. L. de Clercq, K. H. Bowen, J. Chem. Phys., 1998, 108, 8.
[61] M. Gutowski, P. Skurski, Chem. Phys. Lett., w druku.
[62] A. Szabo, N. S. Ostlund, Modern Quantum Chemistry, Dover Publications, Inc, Mineola, New York 1996.
[63] K. D. Jordan, J. J. Wendoloski, Chem. Phys, 1977, 21, 145.
[64] D. M. Chipman, J. Chem. Phys., 1979, 83, 1657.
[65] L. Adamowicz, E. A. McCullough, Chem. Phys. Lett, 1984, 107, 72
[66] K. D. Jordan, K. M. Griffing, J. Kenney, E. L. Andersen, J. Simons, J. Chem. Phys, 1976, 64, 4730.
[67] B. Liu, K. O-Ohata, K. Kirby-Docken, ibid., 1977, 67, 1850.
[68] Y. Yoshioka, K. D. Jordan, ibid., 1980, 73, 5899.
[69] L. Adamowicz, E. A. McCullough, Jr., J. Phys. Chem, 1984, 88, 2045.
[70] L. Adamowicz, R. J. Bartlett, J. Chem. Phys, 1985, 83, 6268.
[71] L. Adamowicz, R. J. Bartlett, Chem. Phys. Lett, 1986, 129, 159.
[72] L. Adamowicz, R. J. Bartlett, J. Chem. Phys, 1988, 88, 313.
[73] L. Adamowicz, ibid., 1989, 91, 7787.
[74] G. L. Gutsev, L. Adamowicz, Chem. Phys. Lett, 1995, 246, 245.
[75] N. A Oyler, L. Adamowicz, J. Phys. Chem, 1993, 97, 11122.
[76] N. A Oyler, L. Adamowicz, Chem. Phys. Lett, 1994, 219, 223.
[77] G. H. Roehrig, N. A. Oyler, L. Adamowicz, ibid., 1994, 225, 265.
[78] G. H. Roehrig, N. A. Oyler, L. Adamowicz, J. Phys. Chem., 1995, 99, 14285.
[79] G. L. Gutsev, A. L. Sobolewski, L. Adamowicz, Chem. Phys., 1995, 196, 1.
[80] G. L. Gutsev, L. Adamowicz, J. Phys. Chem., 1995, 99, 13412.
[81] C. G. Bailey, C. E. H. Dessent, M. A. Johnson, K. H. Bowen Jr, J. Chem. Phys., 1996, 104, 6976.
[82] M. Gutowski, P. Skurski, A. I. Boldyrev, J. Simons, K. D. Jordan, Phys. Rev. A, 1996, 54, 1906.
[83] M. Gutowski, P. Skurski, J. Simons, K D. Jordan, Int. J. Quantum Chem., 1997, 64, 183.
[84] M. Gutowski, P. Skurski, J. Chem. Phys., 1997, 107, 2968.
[85] M. Gutowski, P. Skurski, J. Phys. Chem. B, 1997, 101, 9143.
[86] P. Skurski, M. Gutowski, J. Chem. Phys., 1998, 108, 6303.
[87] M. Gutowski, K. D. Jordan, P. Skurski, J. Phys. Chem. A, 1998, 102, 2624.
[88] M. Gutowski, P. Skurski, w przygotowaniu.
[89] M. Gutowski, P. Skurski, Chem. Phys. Lett, 1999, 300, 331.
[90] P. Skurski, M. Gutowski, J. Simons, J. Chem. Phys., 1999, 110, 274.
[91] P. Skurski, M. Gutowski, J. Simons, J. Phys. Chem. A, 1999, 103, 625.
[92] R. J. Bartlett, J. F. Stanton, [w:] Reviews in Computational Chemistry, Vol. V, K. B. Lipkowitz, D. B. Boyd Eds., VCH Publishers, Inc. New York, 1994.
[93] B. Jeziorski, R. Moszyński, K. Szalewicz, Chem. Rev., 1994, 94, 1887.
[94] G. Chałasiński, M. M. Szczęśniak, ibid., 1994, 94, 1723.
[95] R. N. Barnett, U. Landman, S. Dhar, N. R. Kestner, J. Jortner, A. Nitzan, J. Chem. Phys., 1989, 91, 7797.
[96] H. Abdoul-Carime, C. Desfranęois, Eur. Phys. J. D, 1998, 2, 149.
[97] W. J. Dulmage, W. N. Lipscomb, Acta Crystallogr., 1951, 4, 330.
[98] R. S. Rudolf T. Emilsson, T. D. Klots, C. Chuang, H. S. Gutowsky, J. Chem. Phys., 1988, 89, 138.
[99] J. M. Vrtilek, C. A. Gottlieb, T. C. Killian, P. Thaddeus, Astrophys. J. Lett., 1990, 364, L53.
[100] H. Haberland, C. Ludewigt, H. G. Schindler, D. R. Worsnop, Phys. Rev. A, 1987, 36, 967; H. Haberland, C. Ludewigt, H. G. Schindler, D. R. Worsnop, Z. Phys. A, . 1985, 320, 151.
[101] G. L. Gutsev, M Nooijen, R. J. Bartlett, Chem. Phys. Letters, 1997, 276, 13.
[102] G. L. Gutsev, M. Nooijen, R. J. Bartlett, Phys. Rev. A, 1998, 57, 1646.
[103] G. L. Gutsev, R. J. Bartlett, J. Chem. Phys„ 1996, 105, 8785.
[104] J. Smets, W. J. McCarthy, L. Adamowicz, J. Phys. Chem., 1996, 100, 14655.
[105] J. Smets, W. J. McCarthy, L. Adamowicz, Chem. Phys. Lett., 1996, 256, 360.
[106] J. Smets, D. M. A. Smith, Y Elkadi, L. Adamowicz, J. Phys. Chem. A, 1997,101,9152.
[107] J. Smets, D. M. A. Smith, Y. Elkadi, L. Adamowicz, Pol. J. Chem., 1998, 72, 1615.
[108] D. M. A. Smith, J. Smets, Y Elkadi, L. Adamowicz, J. Phys. Chem. A, 1997, 101, 8123.
[109] Y Boutelier, C. Desfranęois, H. Abdoul-Carime, J. P. Schermann, J. Chem. Phys., 1996, 105, 6420.
[110] Y. Elkadi, L. Adamowicz, Chem. Phys. Lett., 1996, 261, 507.
[111] K. S. Kim, I. Park, S. Lee, K. Cho, J. Y Lee, J. Kim, J. D. Joannopoulos, Phys. Rev. Lett., 1996, 76, 956.
[112] R. Ramaekers, D. M. A Smith, Y. Elkadi, L. Adamowicz, Chem. Phys. Lett, 1997, 277, 269.
[113] R. Ramaekers, D. M. A. Smith, J. Smets, L. Adamowicz, J. Chem. Phys., 1997, 107, 9475.
[114] D. M. A. Smith, J. Smets, Y Elkadi, L. Adamowicz, ibid., 1997, 107, 5788.
[115] Y. Boutelier, C. Desfranęois, J. P. Schermann, Z. Latajka, B. Silvi, ibid., 1998,108, 7967.
[116] D. M. A. Smith, J. Smets, Y. Elkadi, L. Adamowicz, ibid., 1998, 109, 1238.
[117] J. Smets, D. M. A. Smith, L. Adamowicz, Chem. Phys. Lett., 1998, 297, 451.
[118] P. Ayotte, G. H. Weddle, C. G. Bailey, M. A. Johnson, F. Vila, K. D. Jordan, praca wysłana do J. Chem. Phys.

Uwagi

Opracowanie rekordu ze środków MNiSW, umowa nr SONP/SP/546092/2022 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2024).

Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-article-BUS1-0005-0064