Steric Effects on Reaction Rates. VII. Application of a New MM2 Force-Field for Carbenium Ions to Solvolysis of Bridgehead Substrates

Authors

  • Paul Müller Département de Chimie Organique, Université de Genève, CH-1211 Genève 4
  • Jacky Blanc Département de Chimie Organique, Université de Genève, CH-1211 Genève 4
  • Jiri Mareda Département de Chimie Organique, Université de Genève, CH-1211 Genève 4

DOI:

https://doi.org/10.2533/chimia.1984.389

Abstract

The changes in steric energies (ΔEst) associated with the solvolysis of bridgehead halides and p-toluenesulfonates are calculated by means of an empirical force-field for carbenium ions, incorporated into Allinger’s MM2 programme. The reactivities, relative to 1-adamantyl, of bridgehead derivatives are correlated with the equation: ΔG≠ = 0.71 ΔEstt - 4.61 (r = 0.997).

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Published

1984-11-30

Issue

Vol. 38 No. 11 (1984): Forschung/Research

Section

Kurze Mitteilungen

License

Copyright (c) 1984 Paul Müller

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

[1]
P. Müller, J. Blanc, J. Mareda, Chimia 1984, 38, 389, DOI: 10.2533/chimia.1984.389.