Abstract
CH activation is studied by reaction path calculations for the CH insertion reactions of methane with BU+, B, B-, C, and Al atoms, by semi-empirical calculations. Low activation barriers are predicted for all atoms with p electrons in agreement with qualitative MO arguments and experimental results.
Original language | English (US) |
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Pages (from-to) | 183-188 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 105 |
Issue number | 2 |
DOIs | |
State | Published - Mar 9 1984 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces