The transferability of force constants among olefins

Author

John Martin Comerford, New Jersey Institute of Technology

Document Type

Thesis

Date of Award

6-30-1970

Degree Name

Master of Science in Chemical Engineering - (M.S.)

Department

Chemical Engineering and Chemistry

First Advisor

Howard S. Kimmel

Second Advisor

William H. Snyder

Third Advisor

Leonard Dauerman

Abstract

A normal coordinate analysis of the in-plane vibrations of ethylene was performed using a modified valence force field, a modified Urey-Bradley force field and a hybrid orbital force field. The B_2u species of isobutene was also analyzed. An attempt was made to transfer force constants from ethylene and thereby solve the A₁ species of isobutene, but a solution could not be obtained. This suggests that simple transference of force constants is not feasable in this case.

The potential energy distributions obtained for ethylene are discussed. The normal coordinates calculated in this work are appended.

Recommended Citation

Comerford, John Martin, "The transferability of force constants among olefins" (1970). Theses. 2329.
https://digitalcommons.njit.edu/theses/2329