Published June 22, 1977
| public
Journal Article
Intermediates in the chemiluminescent reaction of singlet oxygen with ethylene. Ab initio studies
Abstract
The excited state of molecule, ¹O₂, is singlet dioxygen thought to play an important role in such biologically important phenomena as "photodynamic action" (photosensitized oxidation), photocarcinogenicity, photochemical smog formation, and bioluminescent processes. However, despite numerous experimental studies of the chemistry of ¹O₂, there is yet a great deal of uncertainty concerning the mechanism involved in the reactions of ¹O₂ and in the chemiluminescence that often results. In this paper we will use the results of ab initio studies (large basis including polarization functions; generalized valence bond with extensive configuration interaction) to examine the processes 1, 2, and 3.
Additional Information
© 1977 American Chemical Society. This work was partially supported by a grant (CHE73-05132) from the National Science Foundation. Part of this work was carried out at the Health Sciences Computing Facility, UCLA, sponsored by the National Institutes of Health Special Resources Grant RR-3.Additional details
- Eprint ID
- 121749
- Resolver ID
- CaltechAUTHORS:20230607-255065000.1
- CHE73-05132
- NSF
- RR-3
- NIH
- Created
-
2023-06-07Created from EPrint's datestamp field
- Updated
-
2023-06-07Created from EPrint's last_modified field
- Other Numbering System Name
- WAG
- Other Numbering System Identifier
- 0103