✦ LIBER ✦

Steric Effects on Reaction Rates – III. Application of Force-Field Calculations to Chromic Acid Oxidation of Alcohols

✍ Scribed by Paul Müller; Jacky Blanc; Dieter Lenoir

Publisher: John Wiley and Sons
Year: 1982
Tongue: German
Weight: 470 KB
Volume: 65
Category: Article
ISSN: 0018-019X
DOI: 10.1002/hlca.19820650410

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The rates of oxidation with chromic acid of 15 bi‐ and polycyclic secondary alcohols have been measured and correlated with strain changes calculated by the MM1‐program between the alcohols and the corresponding ketones. A correlation of the same quality is obtained upon representation of OH‐strain by CH~3~‐strain. The significance of the correlations with respect to the oxidation mechanism as well as the limitations of the applicability of force‐field calculations to reactivity problems are discussed.

📜 SIMILAR VOLUMES

Steric Effects on Reaction Rates. VI. Ap

Steric Effects on Reaction Rates. VI. Application of a New MM2 Force-Field for Carbenium Ions to Solvolysis Rates of Secondary p-Toluenesulfonates

✍ Paul Müller; Jiri Mareda 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 German ⚖ 408 KB

## Abstract An empirical force‐field for carbenium ions has been incorporated in __Allinger__'__s__ MM2 programme. Structural parameters of secondary carbenium ions calculated by this method are compared with those obtained with __Schleyer__'__s__ BIGSTRN calculations. The strain changes occurring