Masters Theses
Abstract
"Semi-empirical molecular orbital calculations of the Extended Ruckel and MIND0/1 type have been performed on semibullvalene and the supposed transition state for its degenerate [3,3] sigmatropic rearrangement. The results have been coupled with bond energy calculations to ascertain whether semibullvalene is homo-aromatic or is undergoing a rearrangement of exceedingly low activation energy. A preponderance of the resulting data suggests that semibullvalene is homo-aromatic"--Abstract, page ii.
Advisor(s)
Wulfman, David S., 1934-2013
Committee Member(s)
Zung, Joseph T.
Ho, C. Y. (Chung You), 1933-1988
Department(s)
Chemistry
Degree Name
M.S. in Chemistry
Publisher
University of Missouri--Rolla
Publication Date
1970
Pagination
2, v, 15 pages
Rights
© 1970 Shiow Yeh Lee, All rights reserved.
Document Type
Thesis - Open Access
File Type
text
Language
English
Subject Headings
Molecular orbitals -- Mathematical models
Molecular structure -- Mathematical models
Chemical bonds
Thesis Number
T 2465
Print OCLC #
6028086
Electronic OCLC #
864828338
Link to Catalog Record
Recommended Citation
Lee, Shiow Yeh, "The semibullvalene question: A semi-empirical molecular orbital and bond energy approach" (1970). Masters Theses. 7158.
https://scholarsmine.mst.edu/masters_theses/7158
