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Application of the Seth-Paul-Van Duyse equation. VI. Calculation of substituent constants of complex structural fragments

A. Perjéssy

Department of Organic Chemistry, Faculty of Nnturnl Sciences, Komenský University, CS-S42 15 Bratislava

 

Abstract: A general empirical formula for calcn. of X+(R) substituent consts. of complex structural fragments has been derived using substituent consts. of single groups and Charton's and Jaffe's transmissive factors of fundamental structural units. The same formula is equally well usable in the case of calcn. of Hammett σ and Brown-Okamoto σ+ or σ- consts. of complex substituents. Jaffe's transmissive factor γ for both the s-cis and s-trans conformations of an E-isomeric CH=CH group and some new X+(R) values of single substituents contg. multiple bonds between carbon atoms have been detd. Transmissive factors γ and π' of several bridge groups were tabulated.

Full paper in Portable Document Format: 373a357.pdf

 

Chemical Papers 37 (3) 357–368 (1983)

Wednesday, October 21, 2020

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