Chemistry

A Different Story of pi;-Delocalizations - The Distortivity by Shaik S., Shurki A., Danovich D.

By Shaik S., Shurki A., Danovich D.

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1983, 105, 1713. ; Sustmann, R. J. Am. Chem. Soc. 1981, 103, 4483. ; Frenking, G. J. Am. Chem. Soc. 1994, 116, 9275. A Different Story of π-Delocalization (94) (95) (96) (97) (98) (99) (100) (101) (102) (103) (104) (105) (106) (107) (108) (109) (110) (111) (112) (113) (114) (115) (116) (117) (118) (119) (120) (121) Dewar, M. J. ; Healy, E. Organometallics 1982, 1, 1705. ; Dewar, M. J. S. J. Am. Chem. Soc. 1984, 106, 3531. Hoffmann, R. Chem. Eng. News 1974, 52 (July 29), 32. Salem, L. The Molecular Orbital Theory of Conjugated Systems; Benjamin: Reading, MA, 1966; pp 103-106, 494-505.

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Org. Chem. 1996, 61, 8533. The authors test the σ-effect using the allperpendicular conformation of the substituents. Using this approach, our molecule 37 shows negligible positive σ-displacement. ; Zhu, Z. J. Am. Chem. Soc. 1997, 119, 1869. (219) Borden, W. ; Davidson, E. ; Hart, P. J. Am. Chem. Soc. 1978, 100, 388. (220) Borden, W. T. In Encyclopedia of Computational Chemistry; Schleyer, P. v. , Allinger, N. , Kollman, P. , Schaefer, H. , III, Schreiner, P. ; Wiley: Chichester, 1998; Vol. 1, p 708.

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