Reactions of singlet and triplet methylene with a C-H bond of ethylene. An ab initio study

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)

Abstract

The insertion reaction of singlet methylene into a C-H bond of ethylene and the hydrogen abstraction from ethylene by triplet methylene have been theoretically studied by using the 3-21G and 6-31G* basis sets and introducing electron correlation and thermodynamic corrections. The obtained results have permitted us to analyze the mechanistic differences between both processes. The competition between them and the well-known addition reactions to olefinic double bonds is also discussed. © 1988 American Chemical Society.
Original languageEnglish
Pages (from-to)4180-4184
JournalJournal of Physical Chemistry
Volume92
Issue number14
DOIs
Publication statusPublished - 1 Jan 1988

Fingerprint Dive into the research topics of 'Reactions of singlet and triplet methylene with a C-H bond of ethylene. An ab initio study'. Together they form a unique fingerprint.

Cite this