Ab initio calculations using the STO-3G basis set and optimized geometries by MM2 and MNDO are used to investigate the charge distribution of norbornane bicycle-[2.2.1 ]-heptane with 2-exe and endo substituents (methyl, ethyl, hydroxyl). The calculated net atomic charges using geometries obtained by
The effect of 2-exo and endo substituents on the geometry of norbornane
✍ Scribed by J.Walkimar de M. Carneiro; Peter Rudolf Seidl; José Glauco R. Tostes; C.A. Taft
- Book ID
- 119116806
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 476 KB
- Volume
- 152
- Category
- Article
- ISSN
- 0166-1280
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## Abstract The solvolysis rates and products of the 6‐__exo__‐substituted 2‐__exo__‐ **1a**‐**1u**, and 2‐__endo__‐norbornyl __p__‐toluenesulfonates **2a**‐**2u**, have been determined. In general, the rate constants for **1** and **2** (log __k__) correlate well with the inductive constants σ of