𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Barriers to internal rotation in some dimethylamino substituted azoles

✍ Scribed by Tommy Liljefors


Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
775 KB
Volume
6
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis


Abstract

Activation parameters for the hindered rotation in some dimethylamino substituted azoles are reported and the effects of various ring systems and substituents on the barrier are discussed. Possible errors in Δ__H__≠ and Δ__S__≠ are investigated.


📜 SIMILAR VOLUMES


Barriers to internal rotation in propane
✍ James R. Hoyland 📂 Article 📅 1967 🏛 Elsevier Science 🌐 English ⚖ 176 KB

## Receivzj i August 1967 Ab initio calculations of barriers to internal rotation in propane are carried out by a bond orbital approach. The results are in fair agreement with experiment and indicate that the rotation of the two methyl groups is not independent.

Barriers to rotation of the dimethylamin
✍ C. H. J. Wells 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 171 KB 👁 1 views

## Abstract The free energy of activation for rotation about the exocyclic CN bond of the dimethylamino group of some 6‐substituted 2‐amino‐4‐(__N__,__N__‐dimethylamino)pyrmidines has been determined using ^1^H NMR line shape analysis. The results are discussed in terms of the relative electron‐wi

Barriers to internal rotation in bipheny
✍ Paul D. Sullivan; Joseph Y. Fong 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 216 KB

Molecular orbital theory shows that the conformation of, and barriers to rotation in, radical ions of biphenyl derivatives are greatly different from those of the neutral compounds. The results are consistent with the ESR results on the cation radicals of some substituted biphenyis.

Barrier to internal rotation in allene
✍ Jean-Marie André; Marie-Claude André; Georges Leroy 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 304 KB

All electrons SCF-LCAO-MO computation for the barrier to internal rotation in allene is presented. The basis functions are contracted Gaussian orbitals. Theoretical results are discussed and related to available experimental data. In this work we report an all electron computation of the potential b

Electronic states and barriers to intern
✍ Karsten Krogh-jespersen 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 898 KB

## Abstract The electronic states and barriers to internal rotation in allene (**1a**), 1‐silaallene (**2a**), and 2‐silaallene (**3a**) are investigated computationally using __ab__‐__initio__ molecular orbital methods. Planar geometries with two‐, three‐, and four‐π‐electron configurations have b