A theoretical study of the stereochemistry of the intramolecular hydrogen bond of salicylic acid
✍ Scribed by Javier Catalán; José Ignacio Fernández-Alonso
- Book ID
- 103208052
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 510 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
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## Abstract An __ab initio__ study of 3‐chloro‐, 3‐hydroxy‐, 3‐mercapto‐, and 3‐amino‐propanenitrile and 4‐chloro‐bu‐ tanenitrile was carried out at several levels of theory. The calculated stabilities and geometrical trends are interpreted in terms of the effects of intramolecular hydrogen bonds a
Measurements were made in CCI, of the formation constant K,, of the 1 : l hydrogen-bonded complexes between the reference donor 4-fluorophenol and the intramolecular hydrogen-bonded systems I (one lone pair on heteroatom Y, one intramolecular hydrogen bond: 8-hydroxyquinaldine and 2-(2-hydroxyphenyl