Concepedia

Valence Bond Calculation of the Barrier to Internal Rotation in Molecules

Gilda Maki Harris, Frank E. Harris

The Journal of Chemical Physics · 1959 · 26 citations · 12 references

DOI

Concepts

Abstract

An approximate calculation of the barrier to internal rotation in ethane was made using a set of covalent valence bond structures involving only s and p orbitals. The calculated result is sufficiently great that it does not appear that other effects are needed to explain the barrier height.

References

12

A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. I

Clemens Roothaan · The Journal of Chemical Physics · 1951 · 753 citations

, , +9

A Simple Model for Barriers to Internal Rotation

Edward A. Mason, Maurice M. Kreevoy · Journal of the American Chemical Society · 1955 · 133 citations

, , +4

The Entropy of Ethane and the Third Law of Thermodynamics. Hindered Rotation of Methyl Groups

J. D. Kemp, Kenneth S. Pitzer · Journal of the American Chemical Society · 1937 · 126 citations

, , +9

STERIC HINDRANCE AND COLLISION DIAMETERS<sup>1</sup>

Henry Eyring · Journal of the American Chemical Society · 1932 · 122 citations

, , +5

Thermodynamics of Gaseous Hydrocarbons: Ethane, Ethylene, Propane, Propylene, <i>n</i>-Butane, Isobutane, 1-Butene, <i>Cis</i> and <i>Trans</i> 2-Butenes, Isobutene, and Neopentane (Tetramethylmethane)

Kenneth S. Pitzer · The Journal of Chemical Physics · 1937 · 92 citations

, , +17