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Theoretical study of the structure of some trigonal radicals
- Source :
- Journal of the Chemical Society, Faraday Transactions 2. 70:167
- Publication Year :
- 1974
- Publisher :
- Royal Society of Chemistry (RSC), 1974.
-
Abstract
- Ab initio SCF MO calculations are described for the radicals CH3, CCl3, CF3, SiH3, SiCl3, SiF3, PH+3, PCl+3 and PF+3. The calculated optimized geometries follow the prediction of Pauling using electronegativity arguments, and the calculated hyperfine coupling constants are in moderate agreement with the experimental values.
Details
- ISSN :
- 03009238
- Volume :
- 70
- Database :
- OpenAIRE
- Journal :
- Journal of the Chemical Society, Faraday Transactions 2
- Accession number :
- edsair.doi...........5b801a8f14ba8c4cc193a5191ea34fa9
- Full Text :
- https://doi.org/10.1039/f29747000167