Tetraphenyldihydrocyclobutaarenes - What causes the extremely long 1.72 Å C-C singlebond?

Chemical Communications

Volumn , Issue 7, 1998, Pages 769-770

  Bettinger, Holger F ^a,b   Schleyer, Paul V R ^a   Schaefer III, Henry F ^b  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002697114     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/a800741a     Document Type: Article

References (23)

1. E. Osawa and K. Kanematsu, in Molecular Structure and Energetics, ed. J. F. Liebman and A. Greenberg, VCH, Deerfield Beach, 1986, vol. 3, p. 329.
2. G. Kaupp and J. Boy, Angew. Chem., Int. Ed. Engl., 1997, 36, 48.
3. F. Toda, K. Tanaka, Z. Stein and I. Goldberg, Acta Crystallogr., Sect. C, 1996, 52, 177;
4. F. Toda, K. Tanaka, I. Sano and T. Isozaki, Angew. Chem., Int. Ed. Engl., 1994, 33, 1757.
5. K. K. Baldridge, T. R. Battersby, R. VernonClark and J. S. Siegel, J. Am. Chem. Soc., 1997, 119, 7048.
6. S. Osawa, M. Sakai and E. Osawa, J. Phys. Chem. A, 1997, 101, 1378.
7. C. H. Choi and M. Kertesz, Chem. Commun., 1997, 2199.
8. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy and J. P. Stewart, J. Am. Chem. Soc., 1985, 107, 3902.
9. (a) A. D. Becke, Phys. Rev. A, 1988, 38, 3098;
10. (b) A. D. Becke, J. Chem. Phys., 1993, 98, 1372;
11. (c) A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
12. C. Lee, W. Yang and R. G. Parr, Phys. Rev. B, 1988, 37, 785.
13. J. P. Perdew, Phys. Rev. B, 1986, 33, 8822.
14. GAUSSIAN 94, Revision C.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
15. A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
16. Landolt-Börnstein, Structure Data of Free Polyatomic Molecules, ed. K.-H. Hellwege, Springer-Verlag, Berlin, 1976, vol. 7, p. 285.
17. B. Bak, J. J. Led, L. Nygaard, J. Rastrup-Andersen and G. O. Sørensen, J. Mol. Struct., 1969, 3, 369.
18. R. Boese and D. Bläser, Angew. Chem., Int. Ed. Engl., 1988, 27, 304.
19. M. D. Harmony, J. Chem. Phys., 1990, 93, 7522.
20. R. Hoffmann, A. Imamura and W. J. Hehre, J. Am. Chem. Soc., 1968, 90, 1499;
21. R. Hoffmann, Acc. Chem. Res., 1971, 4, 1;
22. R. Gleiter, Angew. Chem., Int. Ed. Engl., 1974, 13, 696.
23. N. L. Allinger, J. Am. Chem. Soc., 1977, 99, 8127.