Bulletin of the Korean Chemical Society

  • 제13권2호
  • /
  • Pages.155-157
  • /
  • 1992
  • /
  • 0253-2964(pISSN)
  • /
  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
권호 표지
DOI QR코드

DOI QR Code

Molecular Structure of Bicyclo[4.2.2]decapentaene

  • Lee Oh Seuk (Department of Knowledge-Based Information Engineering, Toyohashi University of Technology) ;
  • Lee Yi Hwa (Department of Chemistry, Andong National University) ;
  • Eiji Osawa (Department of Knowledge-Based Information Engineering, Toyohashi University of Technology)
  • 발행 : 1992.04.20
PDF 다운로드
⟨ 이전 논문 다음 논문 ⟩

초록

Extensive search over the energy surface of bicyclo[4.2.2]decapentaene with MMP2 molecular mechanics method and AM1 semiempirical MO method revealed only one, deep energy minimum structure, which corresponds to 1. The alternative structure 2 could not be identified as a stationary point. Although the deviation of benzenoid ring from planarity is large in the energy minimum structure (${\phi} = 26^{\circ}$(MMP2), $37^{circ}$ (AM1)), the bond lengths show no severe alternation.

키워드

참고문헌

  1. Strained Organic Molecules A. Greenberg;J. F. Liebman
  2. Tetrahedron v.36 K. J. Shea
  3. Reactive Intermediates v.3 G. Szeimies
  4. Cyclophanes P. M. Keehn;S. M. Rosenfeld
  5. Angew. Chem. Int. Ed. Engl. v.25 K. B. Wiberg
  6. J. Am. Chem. Soc. v.110 T. Tsuji;S. Nishida
  7. J. Am. Chem. Soc. v.105 Y. Tobe;K. Kakiuchi;Y. Odaira;T. Hosaki;Y. Kai;N. Kasai
  8. Tetrahedron Lett. v.24 C. Krieger;J. Liebe;W. Tochtermann
  9. Chem. Ber. v.118 J. Liebe;C. Wolff;C. Krieger;J. Weiss;W. Tochtermann
  10. J. Am. Chem. Soc. v.109 Y. Tobe;K. Ueda;T. Kaneda;K. Kakiuchi;Y. Odaira;Y. Kai;N. kasai
  11. Angew. Chem. Int. Ed. Engl. v.23 L. W. Jenneskens;J. C. Klamer;H. J. R. de Boer;w. H. de Wolf;F. Bickelhaupt;C. Stam
  12. Ph. D. Thesis, Vrije Universiteit G. B. M. Kostermans
  13. J. Am. Chem. Soc. v.111 T. Tsuji;S. Nishida
  14. Molecular Mechanics ACS Monograph 177 U. Burkert;N. L. Allinger
  15. J. Am. Chem. Soc. v.107 M. J. S. Dewar;E. G. Zoebisch;E. F. Healy;J. J. P. Stewart
  16. J. Comput. Chem. E. Osawa
  17. J. Comput. Chem. v.8 J. T. Sprague;J. C. Tai;Y. Yuh;N. L. Allinger
  18. QCPE Bull. v.7 N. L. Allinger;A. Buda
  19. QCPE Bull. v.7 M. Togasi;J. M. Rudzinski;Z. Slanina;E. Osawa;T. Hirano
  20. Computer Drawing of Curves and Surfaces M. Mori
  21. Spline Function and its Applications K. Ichida;F. Yoshimoto
  22. Tetrahedron Lett. v.24 T. Tsuji;S. Nishida

피인용 문헌

  1. ChemInform Abstract: Molecular Structure of Bicyclo(4.2.2)decapentaene vol.23, pp.35, 1992, https://doi.org/10.1002/chin.199235044