Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

We discuss the Jahn–Teller effect and possible superconductivity in negatively charged [18]annulene, (CH)18, which is an interesting molecular system with a highly symmetric D6h geometry in the neutral state. Electron–phonon coupling constants in model one-dimensional crystals of (CH)18−, (CH)183−, (CD)18−, and (CD)183− are calculated and analyzed using the B3LYP density functional method of Becke and Lee, Yang, and Parr. The lowest two frequency modes (116 cm−1 and 405 cm−1) causing distortions of the C–C framework of [18]annulene and the highest frequency mode (3201 cm−1) of C–H stretching appear to give significant electron–phonon coupling constants. The computed coupling constants of the monoanion are larger than those of the trianion. Possible preconditions under which idealized one-dimensional crystals of (CH)18− and (CH)183− can exhibit superconductivity at finite temperature are considered.

Bibliography

Yoshizawa, K., Kato, T., & Yamabe, T. (1998). Electron–phonon coupling in the one-dimensional crystals of negatively charged [18]annulene. The Journal of Chemical Physics, 109(19), 8514–8520.

Authors 3
  1. Kazunari Yoshizawa (first)
  2. Takashi Kato (additional)
  3. Tokio Yamabe (additional)
References 99 Referenced 11
  1. {'key': '2024020519473420900_r1'}
  2. {'key': '2024020519473420900_r2'}
  3. {'key': '2024020519473420900_r3'}
  4. {'key': '2024020519473420900_r3a'}
  5. {'key': '2024020519473420900_r4'}
  6. {'key': '2024020519473420900_r4a'}
  7. {'key': '2024020519473420900_r5'}
  8. {'key': '2024020519473420900_r5a'}
  9. {'key': '2024020519473420900_r5b'}
  10. 10.1103/PhysRev.134.A1416 / Phys. Rev. A (1964)
  11. 10.1051/jphyslet:0198000410409500 / J. Phys. (France) Lett. (1980)
  12. 10.1051/jphyslet:019800041016039700 / J. Phys. (France) Lett. (1980)
  13. 10.1080/00018738200101398 / Adv. Phys. (1982)
  14. {'key': '2024020519473420900_r8a'}
  15. {'key': '2024020519473420900_r8b'}
  16. 10.1016/0038-1098(75)90261-6 / Solid State Commun. (1975)
  17. 10.1103/PhysRevLett.38.437 / Phys. Rev. Lett. (1977)
  18. {'key': '2024020519473420900_r9b', 'first-page': '583', 'volume': '11', 'year': '1977', 'journal-title': 'Int. J. Quantum Chem., Quantum Chem. Symp.'} / Int. J. Quantum Chem., Quantum Chem. Symp. (1977)
  19. 10.1016/0038-1098(87)90129-3 / Solid State Commun. (1987)
  20. 10.1103/PhysRevB.56.795 / Phys. Rev. B (1997)
  21. 10.1016/0379-6779(93)91284-9 / Synth. Met. (1993)
  22. 10.1098/rspa.1937.0142 / Proc. R. Soc. London, Ser. A (1937)
  23. 10.1021/ic00343a004 / Inorg. Chem. (1990)
  24. 10.1126/science.252.5012.1501 / Science (1991)
  25. 10.1038/350600a0 / Nature (London) (1991)
  26. 10.1103/PhysRevLett.66.2830 / Phys. Rev. Lett. (1991)
  27. 10.1126/science.252.5009.1154 / Science (1991)
  28. 10.1038/352222a0 / Nature (London) (1991)
  29. 10.1021/ar00015a005 / Acc. Chem. Res. (1992)
  30. 10.1126/science.254.5034.989 / Science (1991)
  31. 10.1103/PhysRevB.44.12106 / Phys. Rev. B (1991)
  32. 10.1103/PhysRevLett.68.526 / Phys. Rev. Lett. (1992)
  33. 10.1103/PhysRevB.46.1265 / Phys. Rev. B (1992)
  34. 10.1103/PhysRevB.48.661 / Phys. Rev. B (1993)
  35. 10.1103/PhysRevB.48.7651 / Phys. Rev. B (1993)
  36. 10.1103/PhysRevB.49.13008 / Phys. Rev. B (1994)
  37. 10.1103/PhysRevB.51.3493 / Phys. Rev. B (1995)
  38. 10.1103/PhysRevB.51.12715 / Phys. Rev. B (1995)
  39. 10.1103/PhysRevB.52.5996 / Phys. Rev. B (1995)
  40. 10.1103/RevModPhys.69.575 / Rev. Mod. Phys. (1997)
  41. {'key': '2024020519473420900_r16'}
  42. 10.1143/JPSJ.12.1238 / J. Phys. Soc. Jpn. (1957)
  43. 10.1098/rspa.1959.0100 / Proc. R. Soc. London, Ser. A (1959)
  44. 10.1063/1.1701562 / J. Chem. Phys. (1967)
  45. 10.1021/ja01038a008 / J. Am. Chem. Soc. (1969)
  46. {'key': '2024020519473420900_r21'}
  47. 10.1246/bcsj.45.1022 / Bull. Chem. Soc. Jpn. (1972)
  48. 10.1021/ja00501a013 / J. Am. Chem. Soc. (1979)
  49. {'key': '2024020519473420900_r23'}
  50. {'key': '2024020519473420900_r23a'}
  51. {'key': '2024020519473420900_r23b'}
  52. 10.1002/hlca.19820650622 / Helv. Chim Acta (1982)
  53. 10.1107/S0365110X65003158 / Acta Crystallogr. (1965)
  54. 10.1107/S0365110X6500316X / Acta Crystallogr. (1965)
  55. 10.1351/pac198052061431 / Pure Appl. Chem. (1980)
  56. 10.1021/ja00396a021 / J. Am. Chem. Soc. (1981)
  57. 10.1021/ja00396a023 / J. Am. Chem. Soc. (1981)
  58. 10.1002/jcc.540080106 / J. Comput. Chem. (1987)
  59. 10.1021/jp953420x / J. Phys. Chem. (1996)
  60. 10.1021/ja00491a012 / J. Am. Chem. Soc. (1978)
  61. 10.1021/ja00288a001 / J. Am. Chem. Soc. (1985)
  62. 10.1021/ja00242a004 / J. Am. Chem. Soc. (1987)
  63. 10.1016/0166-1280(91)89014-R / J. Mol. Struct.: THEOCHEM (1991)
  64. 10.1002/anie.199623831 / Angew. Chem. Int. Ed. Engl. (1996)
  65. 10.1002/anie.199707451 / Angew. Chem. Int. Ed. Engl. (1997)
  66. 10.1021/ja971035a / J. Am. Chem. Soc. (1997)
  67. 10.1063/1.476199 / J. Chem. Phys. (1998)
  68. {'key': '2024020519473420900_r29'}
  69. 10.1016/0379-6779(95)03390-6 / Synth. Met. (1995)
  70. 10.1016/0301-0104(92)80061-Y / Chem. Phys. (1992)
  71. 10.1016/0022-2860(92)85040-N / J. Mol. Struct. (1992)
  72. 10.1103/PhysRevB.22.1761 / Phys. Rev. B (1980)
  73. 10.1103/PhysRevA.38.3098 / Phys. Rev. A (1988)
  74. 10.1063/1.464913 / J. Chem. Phys. (1993)
  75. 10.1103/PhysRevB.37.785 / Phys. Rev. B (1988)
  76. 10.1063/1.1674902 / J. Chem. Phys. (1971)
  77. 10.1007/BF00533485 / Theor. Chim. Acta (1973)
  78. {'key': '2024020519473420900_r36'}
  79. 10.1103/PhysRevB.6.2577 / Phys. Rev. B (1972)
  80. {'key': '2024020519473420900_r38', 'first-page': '966', 'volume': '38', 'year': '1960', 'journal-title': 'Zh. Eksp. Teor. Fiz.'} / Zh. Eksp. Teor. Fiz. (1960)
  81. {'key': '2024020519473420900_r38a', 'first-page': '1437', 'volume': '39', 'year': '1960', 'journal-title': 'Zh. Eksp. Teor. Fiz.'} / Zh. Eksp. Teor. Fiz. (1960)
  82. {'key': '2024020519473420900_r38b', 'first-page': '696', 'volume': '11', 'year': '1960', 'journal-title': 'Sov. Phys. JETP'} / Sov. Phys. JETP (1960)
  83. {'key': '2024020519473420900_r38c', 'first-page': '1000', 'volume': '12', 'year': '1961', 'journal-title': 'Sov. Phys. JETP'} / Sov. Phys. JETP (1961)
  84. 10.1103/PhysRev.108.1175 / Phys. Rev. (1957)
  85. 10.1103/PhysRev.167.331 / Phys. Rev. (1968)
  86. 10.1016/0022-3697(92)90240-E / J. Phys. Chem. Solids (1992)
  87. 10.1063/1.1732849 / J. Chem. Phys. (1962)
  88. 10.1063/1.1734456 / J. Chem. Phys. (1963)
  89. {'key': '2024020519473420900_r42b'}
  90. {'key': '2024020519473420900_r43'}
  91. {'key': '2024020519473420900_r43a'}
  92. {'key': '2024020519473420900_r43b'}
  93. {'key': '2024020519473420900_r44'}
  94. 10.1021/ja01499a077 / J. Am. Chem. Soc. (1960)
  95. 10.1021/ja00765a042 / J. Am. Chem. Soc. (1972)
  96. 10.1021/ja00803a022 / J. Am. Chem. Soc. (1973)
  97. 10.1021/ja00384a027 / J. Am. Chem. Soc. (1982)
  98. 10.1021/ja00042a023 / J. Am. Chem. Soc. (1992)
  99. 10.1016/0009-2614(93)89148-B / Chem. Phys. Lett. (1993)
Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 8:38 a.m.)
Deposited 1 year, 7 months ago (Feb. 5, 2024, 3:47 p.m.)
Indexed 1 year, 6 months ago (Feb. 11, 2024, 1:43 a.m.)
Issued 26 years, 9 months ago (Nov. 15, 1998)
Published 26 years, 9 months ago (Nov. 15, 1998)
Published Print 26 years, 9 months ago (Nov. 15, 1998)
Funders 0

None

@article{Yoshizawa_1998, title={Electron–phonon coupling in the one-dimensional crystals of negatively charged [18]annulene}, volume={109}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.477516}, DOI={10.1063/1.477516}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Yoshizawa, Kazunari and Kato, Takashi and Yamabe, Tokio}, year={1998}, month=nov, pages={8514–8520} }