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Electronic Structure of Highly Conducting Polymers and Biopolymers; Solid State Aspects

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Quantum Chemistry of Polymers — Solid State Aspects

Part of the book series: NATO ASI Series ((ASIC,volume 123))

Abstract

After a short review of theab initio SCF LCAO crystal orbital method the negative factor technique for the determination of the density of states in a disordered chain is presented. After this the problem of electron correlation in polymers is discussed and the generation of correlated (quasi- particle) valence and conduction bands is reviewed.

The gap in alternating trans-polyacetylene is described on the basis of its quasi-particle band structure and the question of the Bloch-type conduction in DNA (either through doping or the possibility of intrinsic conduction due to charge transfer from the sugar rings to the nucleotide bases) is discussed. This is followed by a brief discussion of the electronic structure of disordered polypeptide chains.

Finally for the interpretation of the known biochemical activation mechanisms of human oncogens the different possible short- and long-range effects of carcinogen binding to DNA is summarized. The possiblity of soliton-generation in DNA through carcinogen binding and subsequent removal as one of the probable long-range effects is discussed in some detail.

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References

  1. Del Re, G., Ladik, J. and Biczó, G., Phys. Rev.155 (1967) 997; André, J.-M., Gouverneur, L. and Leroy, G., Int. J. Quant. Chem.1. (1967) 427 and 451.

    Article  Google Scholar 

  2. Del Re, G., Ladik, J. and Biczó, G., Phys. Rev.155 (1967) 997; André, J.-M., Gouverneur, L. and Leroy, G., Int. J. Quant. Chem.1. (1967) 427 and 451.

    Google Scholar 

  3. Dean, P ., Roy. Soc. London, Ser. A254 (1960) 507;ibid 260(1961) 263; Dean, P., Rev. Mod. Phys.44 (1972) 127; Seel. M., Chem. Phys.143 (1979) 103, Day, R.S. and Martino F., Chem. Phys. Lett.84 (1981) 86; Day, R.S. and Ladik, J., Int. J. Quant. Chem.21 (1982) 917; for a recent review see: Ladik, J., Int. J. Quant. Chem.23 (1981) 1073

    Article  CAS  Google Scholar 

  4. Dean, P ., Roy. Soc. London, Ser. A254 (1960) 507;ibid 260(1961) 263; Dean, P., Rev. Mod. Phys.44 (1972) 127; Seel. M., Chem. Phys.143 (1979) 103, Day, R.S. and Martino F., Chem. Phys. Lett.84 (1981) 86; Day, R.S. and Ladik, J., Int. J. Quant. Chem.21 (1982) 917; for a recent review see: Ladik, J., Int. J. Quant. Chem.23 (1981) 1073

    Article  CAS  Google Scholar 

  5. Dean, P ., Roy. Soc. London, Ser. A254 (1960) 507;ibid 260(1961) 263; Dean, P., Rev. Mod. Phys.44 (1972) 127; Seel. M., Chem. Phys.143 (1979) 103, Day, R.S. and Martino F., Chem. Phys. Lett.84 (1981) 86; Day, R.S. and Ladik, J., Int. J. Quant. Chem.21 (1982) 917; for a recent review see: Ladik, J., Int. J. Quant. Chem.23 (1981) 1073

    Article  Google Scholar 

  6. Dean, P ., Roy. Soc. London, Ser. A254 (1960) 507;ibid 260(1961) 263; Dean, P., Rev. Mod. Phys.44 (1972) 127; Seel. M., Chem. Phys.143 (1979) 103, Day, R.S. and Martino F., Chem. Phys. Lett.84 (1981) 86; Day, R.S. and Ladik, J., Int. J. Quant. Chem.21 (1982) 917; for a recent review see: Ladik, J., Int. J. Quant. Chem.23 (1981) 1073

    Article  CAS  Google Scholar 

  7. Dean, P ., Roy. Soc. London, Ser. A254 (1960) 507;ibid 260(1961) 263; Dean, P., Rev. Mod. Phys.44 (1972) 127; Seel. M., Chem. Phys.143 (1979) 103, Day, R.S. and Martino F., Chem. Phys. Lett.84 (1981) 86; Day, R.S. and Ladik, J., Int. J. Quant. Chem.21 (1982) 917; for a recent review see: Ladik, J., Int. J. Quant. Chem.23 (1981) 1073

    Article  CAS  Google Scholar 

  8. Dean, P ., Roy. Soc. London, Ser. A254 (1960) 507;ibid 260(1961) 263; Dean, P., Rev. Mod. Phys.44 (1972) 127; Seel. M., Chem. Phys.143 (1979) 103, Day, R.S. and Martino F., Chem. Phys. Lett.84 (1981) 86; Day, R.S. and Ladik, J., Int. J. Quant. Chem.21 (1982) 917; for a recent review see: Ladik, J., Int. J. Quant. Chem.23 (1981) 1073

    Article  Google Scholar 

  9. Ladik, J ., Lecture at Int. Symp. on Quantum Biology and Quantum Pharmacology, Palm Coast, FL (1981) unpublished; Otto, P., Ladik, J., Corongiu, G., Suhai, S., and Förner, W., J. Chem. Phys.77 (1982) 5026.

    Google Scholar 

  10. Ladik, J ., Lecture at Int. Symp. on Quantum Biology and Quantum Pharmacology, Palm Coast, FL (1981) unpublished; Otto, P., Ladik, J., Corongiu, G., Suhai, S., and Förner, W., J. Chem. Phys.77 (1982) 5026.

    Article  CAS  Google Scholar 

  11. Ladik, J . in “Recent Advances in the Quanum Theory of Polymers”, ed. Andre, JM., Bredas, JL., Delhalle, J., Ladik, J., Leroy, G. and Moser, C., Springer Verlag, Berlin-Heidelberg- New York, 1980, p. 155; Suhai, S. and Ladik, J., J. Phys. C.: Solid State Phys.15 (1982) 4327; Ladik, J., Int. J. Quant. Chem.23 (1983) 1073.

    Chapter  Google Scholar 

  12. Ladik, J . in “Recent Advances in the Quanum Theory of Polymers”, ed. Andre, JM., Bredas, JL., Delhalle, J., Ladik, J., Leroy, G. and Moser, C., Springer Verlag, Berlin-Heidelberg- New York, 1980, p. 155; Suhai, S. and Ladik, J., J. Phys. C.: Solid State Phys.15 (1982) 4327; Ladik, J., Int. J. Quant. Chem.23 (1983) 1073.

    Article  CAS  Google Scholar 

  13. Takeuti, Y., Progr. Theor. Phys. (Kyoto)18 (1957) 421; Progr. Theor. Phys. (Kyoto) Suppl.12 (1975) 75.

    Article  Google Scholar 

  14. Suhai, S., J. Chem. Phys. (submitted)

    Google Scholar 

  15. Suhai, S., J. Chem. Phys.57 (1972) 5599.

    Article  CAS  Google Scholar 

  16. Suhai, S., J. Polymer Sci., Polymer Phys21 (1983) 000.

    Google Scholar 

  17. Otto, P., Clementi, E., Ladik, J. and Martino, F., J. Chem. Phys. (submitted); see also the contribution of Otto, P. in this volume, p. 361.

    Google Scholar 

  18. Ladik, J., in “Electronic Structure of Polymers and Molecular Crystals”, ed. André, J.-M. and Ladik, J., Plenum Press, New York-London, 1975, p. 23.

    Google Scholar 

  19. Roothaan, C.C.J., Rev. Mod. Phys.23 (1951) 69.

    Article  CAS  Google Scholar 

  20. Suhai, S., in “Quantenmechanische Untersuchungen an quasiein- dimensionalen Festkorpern”, Habilitation Thesis, Erlangen, 1983; J. Chem. Phys. (submitted).

    Google Scholar 

  21. Suhai, S., Bagus, P. and Ladik, J., Chem. Phys.68 (1982) 467.

    Article  CAS  Google Scholar 

  22. Ukrainski, I.I., Theor. Chim. Acta,28 (1975) 139; Blumen, A. and Merkel, Ch., Phys. stat. sol.83 (1977) 425.

    Article  Google Scholar 

  23. Kertész, M. and Göndör, Gy., J. Phys. C14 (1981) 851.

    Article  Google Scholar 

  24. Wilkinson, J.H., “The Algebraic Eigenvalue Problem”, Clarendon Press, Oxford.

    Google Scholar 

  25. Gadzy, B., Seel, M. and Ladik, J., Chem. Phys. Lett, (submitted).

    Google Scholar 

  26. Moeller, C. and Plesset, S., Phys. Rev.46 (1934) 618.

    Article  Google Scholar 

  27. Cizek, J., J. Chem. Phys45 (1966) 4256; Cizek, J. and Paldus, J., Int. J. Quant. Chem.5 (1975) 359; Adv. Quant. Chem.9 (1975) 105.

    Google Scholar 

  28. Ahlrichs, R. and Kutzelnigg, W., J. Chem. Phys48 (1968) 1819; Meyer, W.ibid 58 (1973) 1017.

    Article  CAS  Google Scholar 

  29. Ahlrichs, R. and Kutzelnigg, W., J. Chem. Phys48 (1968) 1819; Meyer, W.ibid 58 (1973) 1017.

    Article  Google Scholar 

  30. Ladik, J. and Suhai, S., in Specialists Report on Theoretical Chemistry, ed. Thomson, C., Royal Soc. of Chem. Burlington House, London, 1981, p. 49; Suhai, S., J. Chem. Phys. (submitted).

    Google Scholar 

  31. S. Suhai, S., Phys. RevB 27 (1983) 3506.

    Article  CAS  Google Scholar 

  32. Day, R.S. and Martino, F., Chem. Phys. Lett84 (1981) 86.

    Article  CAS  Google Scholar 

  33. Boys, S.F., Rev. Mod. Phys32 (1960) 306.

    Google Scholar 

  34. Ruedenberg, K., Rev. Mod. Phys34 (1962) 326; Edminston, C. and Ruedenberg, K.,ibid 35 (1963) 457.

    Article  CAS  Google Scholar 

  35. Ruedenberg, K., Rev. Mod. Phys34 (1962) 326; Edminston, C. and Ruedenberg, K.,ibid 35 (1963) 457.

    Google Scholar 

  36. Cizek, J., Förner, W. and Ladik, J., Theor. Chim. Acta (submitted).

    Google Scholar 

  37. Kapuy, E., Csepes, Z. and Kozmutza, C., Int. J. Quant. Chem23 (1983) 981.

    Article  CAS  Google Scholar 

  38. Förner, W., Cizek, J. and Ladik. J.,to be published in J, Chem. Phys.

    Google Scholar 

  39. Kunz, AB ., Phys. Rev6 (1972) 606; Devreese, J.T., Kunz, A.B. and Collins, T.C., Solid State Comm.11 (1972) 670; Mickish, D.J., Kunz, A.B. and Collins, T.C., Phys. Rev.139 (1974) 4461; Pantelides, S.T., Mickish, D.J. and Kunz, A.B., Phys. Rev.B10 (1974) 2602.

    Article  CAS  Google Scholar 

  40. Kunz, AB ., Phys. Rev6 (1972) 606; Devreese, J.T., Kunz, A.B. and Collins, T.C., Solid State Comm.11 (1972) 670; Mickish, D.J., Kunz, A.B. and Collins, T.C., Phys. Rev.139 (1974) 4461; Pantelides, S.T., Mickish, D.J. and Kunz, A.B., Phys. Rev.B10 (1974) 2602.

    Article  Google Scholar 

  41. Kunz, AB ., Phys. Rev6 (1972) 606; Devreese, J.T., Kunz, A.B. and Collins, T.C., Solid State Comm.11 (1972) 670; Mickish, D.J., Kunz, A.B. and Collins, T.C., Phys. Rev.139 (1974) 4461; Pantelides, S.T., Mickish, D.J. and Kunz, A.B., Phys. Rev.B10 (1974) 2602.

    Google Scholar 

  42. Kunz, AB ., Phys. Rev6 (1972) 606; Devreese, J.T., Kunz, A.B. and Collins, T.C., Solid State Comm.11 (1972) 670; Mickish, D.J., Kunz, A.B. and Collins, T.C., Phys. Rev.139 (1974) 4461; Pantelides, S.T., Mickish, D.J. and Kunz, A.B., Phys. Rev.B10 (1974) 2602.

    Article  CAS  Google Scholar 

  43. Etemad, S., Heeger, A.J., Lanchlan, L., Chung, T.-C. and MacDiarmid, A.G., Mol. Cryst. Liq. Cryst.77 (1981) 43.

    Article  CAS  Google Scholar 

  44. Hehre, W., Stewart, R.F. and Pople, J.A., J. Chem. Phys51 (1969) 265. The basis used in the integral package IBM0L-5.

    Article  Google Scholar 

  45. The basis used in the integral package IBM0L-5.

    Google Scholar 

  46. Arnott, S., Dover, S.P. and Wonacott, A.J., Acta CrystB28 (1969) 2192.

    Google Scholar 

  47. Ladik, J. and Suhai, S., Int. J. Quant. ChemQBS 7 (1980) 181.

    CAS  Google Scholar 

  48. Otto, P., Clementi, E. and Ladik, J., J. Chem. Phys78 (1983) 4547; see also the contribution of Otto, P. in this volume, p. 361.

    Article  CAS  Google Scholar 

  49. Suhai, S. and Ladik, J., Phys. LettA77 (1980) 25.

    Article  Google Scholar 

  50. See for instance: Dayhoff, M.O., Schwartz, R.M., Chen, H.R., Barker, W.C., Hunt, L.T. and Orcott, B.C., “DNA”, Vol. 1, Mary Ann Liebert Inc., 1981, p. 51.

    Google Scholar 

  51. Gentleman, J.F., Shadbolt-Forbes, M.A., Hawkins, J.W.,Ladik, J. and Forbes, W.F., Mathematical Scientist (submitted).

    Google Scholar 

  52. Suhai, S. and Ladik, J., to be published.

    Google Scholar 

  53. For a review see: Clementi, E., “Computational Aspects for Large Chemical Systems”, Lecture Notes in Chemistry, Vol. 19 Springer Verlag, Berlin-Heidelberg-New York, 1980; Corongiu, G. and Clementi, E., Biopolymers20, (1981) 551.

    Google Scholar 

  54. For a review see: Clementi, E., “Computational Aspects for Large Chemical Systems”, Lecture Notes in Chemistry, Vol. 19 Springer Verlag, Berlin-Heidelberg-New York, 1980; Corongiu, G. and Clementi, E., Biopolymers20, (1981) 551.

    Google Scholar 

  55. Suhai, S., Kaspar, J. and Ladik, J., Int. J. Quant. Chem17 (1980) 995.

    Article  CAS  Google Scholar 

  56. Suhai, S., Collins, T.C. and Ladik, J., Biopolymers18, 899 (1979).

    Article  CAS  Google Scholar 

  57. Day, R.S., Suhai, S. and Ladik, J., Chem. Phys62 (1981) 165.

    Article  CAS  Google Scholar 

  58. For details see F. Martino’s paper in this volume, p. 279.

    Google Scholar 

  59. Day, R.S. and Martino, F., J. Phys. C14 (1981) 4247;

    Article  CAS  Google Scholar 

  60. Gazdy, B., Day, R.S., Seel, M., Martino, F. and Ladik, J., Chem. Phys. Lett88 (1982) 220.

    Article  CAS  Google Scholar 

  61. See for instance: Santos, E., Tronick, S.R., Aaronson, S.A., Pulciani, S. and Barbacid, M., Nature298 (1982) 343; Tabin, C.J., Bradley, S.M., Bargmann, C.I., Weinberg, R.H., Pagageorge, A.G., Scolnick, E.M., Dhar, R., Lowy, D.R. and Chang, E.H., Nature300 (1982) 143.

    Google Scholar 

  62. See for instance: Chang, E.H., Furth, M.E., Scolnick, E.M. and Lovi/y, D.R., Nature297 (1982) 479.

    Article  CAS  Google Scholar 

  63. See for instance: Rechavi, G., Givol, D. and Canaani, E., Nature300 (1982) 607.

    Article  CAS  Google Scholar 

  64. Watson, J.D. and Crick, F.H.C., Nature171 (1953) 737, 964; Watson, J.D., “The Double Helix”, Atheneum, New York, 1968.

    Article  CAS  Google Scholar 

  65. Watson, J.D ., “The Double Helix”, Atheneum, New York, 1968.

    Google Scholar 

  66. Ladik, J., Suhai, S. and Seel, M., Int. J. Quant. ChemQBS 5 (1978) 135.

    Google Scholar 

  67. Weinstein, B.A. (personal communication).

    Google Scholar 

  68. See for instance: Davydov, A.S. and Kislusha, N.I., Phys. Stat. Sol 59 (1973) 465; Davydov, A.S., Phys. Scripta20 (1979) 387.

    Article  CAS  Google Scholar 

  69. See for instance: Davydov, A.S. and Kislusha, N.I., phys. stat. sol59 (1973) 465; Davydov, A.S., Phys. Scripta20 (1979) 387.

    Article  CAS  Google Scholar 

  70. Su, W.P., Schrieffer, J.R. and Heeger, A.J., Phys. RevB 4 (1980) 2099.

    Google Scholar 

  71. Ladik, J. and Martino, F., to be published.

    Google Scholar 

  72. Krumhansl, J.A. and Alexander, D.M., in “Structure and Dynamics: Nucleic Acids and Proteins”, ed. Clementi, E. and Sarma, R.H., Adenine Press, New York, 1983, p. 61.

    Google Scholar 

  73. Ladik, J., to be published in Int. J. Quant. Chem.

    Google Scholar 

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Authors and Affiliations

  1. Chair for Theoretical Chemistry, Friedrich-Alexander-University Erlangen-Nürnberg, D-8520, Erlangen, Egerlandstrasse 3, Germany

    Janos J. Ladik

  2. Laboratory of the National Foundation for Cancer Research at the Chair for Theoretical Chemistry, University Erlangen-Nürnberg, Germany

    Janos J. Ladik

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Editors and Affiliations

  1. Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany

    Janos Ladik (Lehrstuhl für theoretische Chemie) & Max Seel (Lehrstuhl für theoretische Chemie) (Lehrstuhl für theoretische Chemie) &  (Lehrstuhl für theoretische Chemie)

  2. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires de Namur, Namur, Belgium

    Jean-Marie André

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© 1984 D. Reidel Publishing Company, Dordrecht, Holland

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Ladik, J.J. (1984). Electronic Structure of Highly Conducting Polymers and Biopolymers; Solid State Aspects. In: Ladik, J., André, JM., Seel, M. (eds) Quantum Chemistry of Polymers — Solid State Aspects. NATO ASI Series, vol 123. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6366-5_17

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  • DOI: https://doi.org/10.1007/978-94-009-6366-5_17

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