Ab Initio/IGLO Study of Strained Bicyclic Olefins

Author

G. K. Surya Prakash
Golam Rasul
Prakash Reddy, Missouri University of Science and TechnologyFollow
Joseph Casanova

Abstract

The ¹³C NMR chemical shifts of strained olefins 1, 2, 3, and 6 were calculated using the ab initio/IGLO method(DZ/6-31G*). The calculated values resemble the experimental data closely but show a systematic drift with increased strain. The chemical shifts of the yet unknown olefins 1 and 2 were predicted to be extremely deshielded.

Recommended Citation

G. K. Prakash et al., "Ab Initio/IGLO Study of Strained Bicyclic Olefins," Journal of the American Chemical Society, vol. 114, no. 16, pp. 6484 - 6486, American Chemical Society (ACS), Jul 1992.

The definitive version is available at https://doi.org/10.1021/ja00042a030

Department(s)

Chemistry

International Standard Serial Number (ISSN)

0002-7863

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 1992 American Chemical Society (ACS), All rights reserved.

Publication Date

01 Jul 1992