## Abstract The kinetics of the reactions of the atoms O(^3^P), S(^3^P), Se(^3^P), and Te(^3^P) with a series of alkenes are examined for correlations relating the logarithms of the rate coefficients to the energies of the highest occupied molecular orbitals (HOMOs) of the alkenes. These correlatio
✦ LIBER ✦
Frontier molecular orbital correlations for predicting rate constants between alkenes and the tropospheric oxidants NO3, OH and O3
✍ Scribed by King, Martin D.; Canosa-Mas, Carlos E.; Wayne, Richard P.
- Book ID
- 118262281
- Publisher
- Royal Society of Chemistry
- Year
- 1999
- Tongue
- English
- Weight
- 176 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1463-9076
- DOI
- 10.1039/a901192g
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Recently, Atkinson et al. [l] reported measurements on the reaction of ozone with a series of carbonyls. In that study a correlation between ozone addition and hydroxyl-radical addition reactions was employed to predict OH addition coefficients for acrolein and crotonaldehyde of approximately 2 X an