Continuous chirality analysis of model Stone-Wales rearrangements in fullerenes

Journal of Physical Chemistry B

Volumn 102, Issue 30, 1998, Pages 5776-5784

  Pinto, Y ^a   Fowler, P W ^b   Mitchell, D ^b   Avnir, D ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF EXETER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; ISOMERIZATION; ISOMERS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES;

AUTOMERIZATION; CHIRALITY; CONTINUOUS SYMMETRY MEASURE; HUCKEL THEORY; STONE-WALES TRANSFORMATION; TRANSITION STATE;

FULLERENES;

EID: 0032117185     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981546z     Document Type: Article

References (40)

1. Stone, A. J.; Wales, D. J. Chem. Phys. Lett. 1986, 128, 501.
2. Diederich, F.; Whetten, R. L.; Thilgen, C.; Ettl, R.; Chao, I.; Alvarez, M. Science 1991, 254, 1768.
3. Fowler, P. W.; Manolopoulos, D. E.; Ryan, R. P. J. Chem. Soc. Chem. Commun. 1992, 88, 408.
4. Fowler, P. W.; Baker, J. J. Chem. Soc., Perkin Trans. 2 1992, 1665.
5. Manolopoulos, D. E.; Fowler, P. W.; Ryan, R. P. J. Chem. Soc., Faraday Trans. 1992, 88, 1225.
6. Hawkins, J. M.; Nambu, M.; Meyer, A. J. Am. Chem. Soc. 1994, 116, 7642.
7. Fowler, P. W.; Manolopoulos, D. E. An Atlas of Fullerenes; Oxford University Press: Oxford, 1995.
8. Eckhoff, W. C.; Scuseria, G. E. Chem. Phys. Lett. 1993, 216, 399.
9. Murry, R. L.; Strout, D. L.; Odom, G. K.; Scuseria, G. E. Nature 1993, 366, 665.
10. Murry, R. L.; Strout, D. L.; Scuseria, G. E. Int. J. Mass Spectrom. Ion Processes 1994, 138, 113.
11. Yi, J.-Y.; Bernholc, J. J. Chem. Phys. 1992, 96, 8634.
12. Heath, J. R.; O'Brien, S. C.; Curl, R. F.; Kroto, H. W.; Smalley, R. E. Comments Condens. Matter Phys. 1987, 13, 119.
13. Manolopoulos, D. E.; Fowler, P. W. In The Chemical Physics of the Fullerenes 10 (and 5) Years Later; Andreoni, W., Ed.; Kluwer Academic Press: Dordrecht, 1996.
14. Heath, J. R. In Fullerenes: Synthesis. Properties and Chemistry; Hammond, G. S., Kuck, V. J., Eds.; American Chemical Society: Washington, DC, 1991; pp 1-23.
15. Fowler, P. W.; Zerbetto, F. Chem. Phys. Lett. 1995, 243, 36.
16. Eggen, B. R.; Heggie, M. I.; Jungnickel, G.; Latham, C. D.; Jones, R.; Briddon, P. R. Science 1996, 272, 87.
17. Zabrodsky, H.; Peleg, S.; Avnir, D. J. Am. Chem. Soc. 1992, 114, 7843.
18. Zabrodsky, H.; Peleg, S.; Avnir, D. J. Am. Chem. Soc. 1993, 115, 8278 (Erratum: 11656).
19. Zabrodsky, H.; Avnir, D. Adv. Mol. Struct. Res. 1995, 1, 1.
20. Zabrodsky, H.; Avnir, D. J. Am. Chem. Soc. 1995, 117, 462.
21. Manolopoulos, D. E.; Fowler, P. W. J. Chem. Phys. 1992, 96, 7603.
22. Rassat, A. C. R. Acad. Sci., Ser. II 1984, 299, 53.
23. Gilat, G.; Schulman, L. S. Chem. Phys. Lett. 1985, 121, 13.
24. Mezey, P. G. Shape in Chemistry: An Introduction to Molecular Shape and Topology; VCH Publishers: New York, 1993.
25. Weinberg, W.; Mislow, K. J. Math. Chem. 1995, 17, 35.
26. Seri-Levy, A.; Richards, W. G. Tetrahedron: Asymmetry 1993, 4, 1917.
27. Kuz'min, V. E.; Stel'makh, I. B.; Yudanova, I. V.; Pozigun, D. V.; Bekker, M. B. J. Phys. Org. Chem. 1992, 5, 299.
28. Luzanov, A. V.; Babich, E. N. Struct. Chem. 1992, 3, 175.
29. Hel-Or, Y.; Peleg, S.; Avnir, D. Langmuir 1990, 6, 1691 (Erratum: 1994, 10, 1633).
30. Meyer, A. Y.; Richards, W. G. J. Comput. Aided Mol. Des. 1991, 5, 427.
31. Murray-Rust, P.; Bürgi, H. B.; Dunitz, J. D. Acta Crystallogr. 1978, B34, 1787.
32. Osipov, M. A.; Pickup, B. T.; Dunmur, D. A. Mol. Phys. 1995, 84, 1193.
33. Klein, D. J. J. Math. Chem. 1995, 18, 321.
34. Buch, V.; Gershgoren, E.; Hel-Or, H. Z.; Avnir, D. Chem. Phys. Lett. 1995, 247, 149.
35. Pinto, Y.; Hel-Or, H. Z.; Avnir, D. J. Chem. Soc., Faraday Trans. 1996, 92, 2523.
36. Kanis, D. R.; Wong, J. S.; Marks, T. J.; Ratner, M. A.; Zabrodsky, H.; Keinan, S.; Avnir, D. J. Phys. Chem. 1995, 99, 11061.
37. Katzenelson, O.; Hel-Or, H. Z.; Avnir, D. Chem. Eur. J. 1996, 2, 147.
38. Keinan, S.; Hel-Or, H. Z.; Avnir, D. Enantiomer 1996, 1, 351.
39. Avnir, D.; Katzenelson, O.; Keinan, S.; Pinsky, M.; Pinto, Y.; Salomon, Y.; Hel-Or, H. Z. In Concepts in Chemistry: A Contemporary Challenge; Rouvray, D. H., Ed.; Research Studies Press Ltd.: Taunton, Somerset, England, 1997; pp 283-324.
40. Avnir, D.; Hel-Or, H. Z.; Mezey, P. G. In Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Ed.; Wiley: Chichester; in press.