✦ LIBER ✦

Barriers to internal rotation in biphenyl radical ions

✍ Scribed by Paul D. Sullivan; Joseph Y. Fong

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 216 KB
Volume: 38
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)80038-3

No coin nor oath required. For personal study only.

✦ Synopsis

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.

📜 SIMILAR VOLUMES

Raman spectra and barriers to internal r

Raman spectra and barriers to internal rotation: biphenyl and nitrobenzene

✍ L.A. Carreira; T.G. Towns 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 645 KB

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.

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

Electronic states and barriers to internal rotation in silaallenes

✍ 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

Barriers to internal rotation in some di

Barriers to internal rotation in some dimethylamino substituted azoles

✍ Tommy Liljefors 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 775 KB

## 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.

Structure and barrier of internal rotati

Structure and barrier of internal rotation of biphenyl derivatives in the gaseous state: Part 4. Barrier of internal rotation in biphenyl, perdeuterated biphenyl and seven non-ortho-substituted halogen derivatives

✍ Otto Bastiansen; Svein Samdal 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 703 KB