New insight into the nature of electron delocalization: The driving forces for distorting the geometry of stilbene-like species

Journal of Physical Chemistry A

Volumn 105, Issue 37, 2001, Pages 8541-8553

  Yu, Zhong Heng ^a   Peng, Xiao Qi ^a  

^a INSTITUTE OF CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DELOCALIZATION;

CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRIC RESISTANCE; ELECTRONS; X RAY DIFFRACTION ANALYSIS;

ORGANIC COMPOUNDS;

EID: 0035922569     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011487g     Document Type: Article

References (48)

1. (a) Streitweiser, A.; Heathcock, C. H. Introduction to Organic Chemistry, Macmillan Publishing Company: New York, 1985.
2. (b) Neckers, D.; Doyle, M. P. Organic Chemistry; John Wiley & Sons: New York, 1977.
3. (c) March, J. Advanced Organic Chemistry; John Wiley & Sons: New York, 1992.
4. Gould, E. S. Mechanism and Structure in Organic Chemistry, Henry Holt and Company: New York, 1960.
5. (a) Yu, Z. H.; Li, L. T.; Fu, W.; Li, L. P. J. Phys. Chem. A 1998, 102, 2016.
6. (b) Yu, Z. H.; Xuan, Z. Q.; Wang, T. X.; Yu, H. M. J. Phys. Chem. A 2000, 104, 1736.
7. (c) Yu, Z. H.; Xuan, Z. Q. THEOCHEM 1999, 488, 101.
8. (d) Yu, Z. H. Comput. Chem. 1994, 18, 95.
9. (e) Yu, Z. H. Int. J. Quantum Chem. 1995, 55, 485.
10. (a) Zamir, S.; Bernstein, J.; Loffe, A.; Brunovll, J.; Kolonits, M.; Hargittai, I. J. Chem. Soc., Perkin Trans. 2, 1994, 895, and refs cited therein.
11. (b) Curtis, R. D.; Penner, G. H.; Power, W.; Wasylishen, R. E. J. Phys. Chem. 1990, 94, 400.
12. (a) Skrabal, P.; Steiger, J. Zollinger, H. Helv. Chim. Acta. 1975, 58, 800.
13. (b) Bernstein, J.; Anderson, T. E.; Eckhardt, C. J. J. Am. Chem. Soc. 1979, 101, 541.
14. (c) Patnaik, L. N. and Das, S. Int. J. Quantum Chem. 1985, 27, 135.
15. (d) Akaba, R.; Tokumaru, K.; Kobayashi, T. Bull. Chem. Soc. Jpn. 1980, 53, 1993.
16. (e) Akaba, R.; Sakuragi, H.; Tokumaru, K. Bull. Chem. Soc. Jpn. 1985, 58, 1186.
17. (a) Burgi, H. B.; Dunitz, J. D. Helv. Chim. Acta 1971, 54, 1255.
18. (b) Choi, C. H.; Kertesz, M. J. Phys. Chem. A. 1997, 101, 3823.
19. (c) Kuze, N.; Ebizuka, M.; Fujiwara, H.; Takeuchi, H.; Egawa, T.; Konaka, S. J. Phys. Chem. A 1998, 102, 2080.
20. (a) Müller, M.; Hohlneicher, G. J. Am. Chem. Soc. 1990, 112, 1273.
21. (b) Kendrick, J. J. Chem. Soc., Faraday Trans. 1990, 86, 3995.
22. (a) Traetteberg, M.; Hilmo, I.; Hagen, K. J. Mol. Struct. 1977, 39, 231.
23. (b) Traetteberg, M. Frantsen, E. B.; Mijlhoff, F. C.; Hoekstra, A. J. Mol. Struct. 1975, 26, 57.
24. Nakai, H.; Shiro, M.; Ezumi, K.; Sakata, S.; Kubota, T. Acta Crystallogr. 1976, B32, 1827.
25. Wiebcke, M.; Mootz, D. Acta Crystallogr. 1982, B38, 2008.
26. Epiotis, N. D.; Cherry, W. R.; Shaik, S.; Yates, R.; Bernardi, F. Top. Curr. Chem. 1977, 70.
27. (a) Yu, Z. H.; Xuan, Z. Q. Chem. J. Chin. Univ. 2000, 21, 421.
28. (b) Yu, Z. H.; Peng, X. Q.; Xuan, Z. Q. Chin. J. Org. Chem. 2000, 20, 882.
29. Kitaura, K.; Morokuma, K. Int. J. Quantum Chem. 1976, 10, 325.
30. Dewar, M. J. S.; Dougherty, R. C. The PMO Theory of Organic Chemistry, Plenum Press: New York and London, 1975.
31. Kollmar, H. J. Am. Chem. Soc. 1979, 101, 4832.
32. Glendening, E. D.; Faust, R.; Streitwieser, K. Vollhardt, P. C. and Weinhold, F. J. Am. Chem. Soc. 1993, 115, 10952.
33. (a) Mulliken, R. S.; Parr, R. G. J. Chem. Phys. 1951, 19, 1271.
34. (b) Bernardi, F.; Bottoai, N. D.; Epiotis, N. D.; G, M. J. Am. Chem. Soc. 1978, 100, 6018.
35. (a) Salem, L. J. Am. Chem. Soc. 1968, 90, 543.
36. (b) Whangbo, M. H.; Schlegel, H. B.; Wolfe, S. J. Am. Chem. Soc. 1977, 99, 1296.
37. (c) Kraut, A. Rev. Biochem. 1977, 46, 331.
38. (d) Bingham, R. C.; Dewar, M. J. S.; Lo, D. H. J. Am. Chem. Soc. 1975, 97, 1285.
39. (e) Csizmadia, I. G. Molecular Structure and Conformation; Elsevier: Amsterdam, 1982.
40. Libit, L.; Hoffmann, R. J. Am. Chem. Soc. 1974, 96, 1370.
41. Csizmadia, I, G. Theory and Practice of MO Calculation on Organic Molecules; Elsevier: Amsterdam, 1976.
42. Bader, P. F. W.; Streitweiser, A.; Neuhaus, A.; Laidig, K. E.; Speers, P. J. Am. Chem. Soc. 1996, 118, 4959.
43. Reed, A.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
44. Shaik, S. S.; Hiberty, P. C.; Lefour, J. M.; Ohanessian, G. J. Am. Chem. Soc. 1987, 109, 363.
45. Epiotis, N. D. Deciphering the Chemical Code; VCH Publishers: New York, 1996.
46. Singh, N., Sethi, P. S. J. Indian Chem. Soc. 1975, 52, 1079.
47. Britta, M. D.; Otto, D. Acta Chem. Scand. 1969, 23, 1503.
48. Crossley, M. L.; Dreisbach, P. F.; Hofmann, C. M.; Parker, R. P. J. Am. Chem. Soc. 1952, 74, 573.