Theoretical Study on Salicylaldehyde and 2-Mercaptobenzaldehyde: Intramolecular Hydrogen Bonding
β Scribed by Chung, Gyusung; Kwon, Ohyun; Kwon, Younghi
- Book ID
- 125497038
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 106 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
To verify the semiempirical-type localized hydrogen bonding analysis methods introduced by us several years ago, the intramolecular oxygen and hydrogen relations within salicylaldehyde are selected as the major topic in this theoretical study. The B3LYPr6-31G\*\* density functional method is chosen
## Abstract Natural abundance ^17^O NMR data for fifteen 2β and 4βsubstituted phenols, ten 3βand 5βsubstituted 2βhydroxybenzaldehydes and eight 3βsubstituted benzaldehydes, recorded at 75Β°C in acetonitrile are reported. The chemical shift change due to intramolecular hydrogen bonding for the phenol