Equilibrium structures of protonated carbon dioxide are explored by ab initio molecular orbital theory. The hydroxyearbonyl cation (I) is found to be most stable; the associated proton affinity is calculated to be 130 kcal/rnol, in reasonable agreement withexperimental data. The dioxiryl cation (IV&
โฆ LIBER โฆ
Theoretical investigation of protonated carbon dioxide
โ Scribed by Sheldon Green; Heloiza Schor; Per Siegbahn; Patrick Thaddeus
- Book ID
- 108430512
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 548 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0301-0104
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