English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Ab initio study of acyloxy cations

MPS-Authors
There are no MPG-Authors in the publication available
External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Maier, W. F., & Reetz, M. T. (1975). Ab initio study of acyloxy cations. Journal of the American Chemical Society, 97(13), 3687-3690. doi:10.1021/ja00846a021.


Cite as: https://hdl.handle.net/21.11116/0000-000E-A945-6
Abstract
The geometry, electronic structure, and energy of several acyloxy cations (I) have been determined by ab initio self-consistent field calculations with minimum and double ζ basis sets. The optimal structures show the isomeric cyclic dioxiryl cation (II) to be the lowest energy species. Substituent effects on the decomposition energy of II yielding cations III and carbon dioxide have been examined.