Origin of alkyl substituent effect in the proton affinity of amines, alcohols, and ethers
β Scribed by Umeyama, Hideaki; Morokuma, Keiji
- Book ID
- 120938426
- Publisher
- American Chemical Society
- Year
- 1976
- Tongue
- English
- Weight
- 583 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0002-7863
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## Abstract The dissociation of protonated alkyl benzoates (para H, CN, OMe and NO~2~) into protonated benzoic acids and alkyl cations was studied in the gas phase. It was found that the product ratio depends on the substituent at the para position of the phenyl ring. The substituent effect is prob
## Abstract The protonation energies of alkylated derivatives of NH~3~ and OH~2~ are calculated at the HartreeβFock level with the splitβvalence 4β31G basis set. The methyl, dimethyl, and ethyl amines are studied; oxygen bases include methanol, dimethylether, and ethanol. The geometries of each mol