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The site of protonation of bifunctional bases with competing basic centers. I. Aromatic nitriles (1996)

Castaño, O. ; Notario, R. ; Hori, K. ; [weitere]

Springer

Structural chemistry 7 (1996), S. 321-327

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Details

ISSN: 1572-9001

Schlagwort(e): Aromatic nitriles ; proton affinities ; bifunctional bases

Quelle: Springer Online Journal Archives 1860-2000

Thema: Chemie und Pharmazie

Notizen: Abstract The experimental values of the gas-phase proton affinities for a variety of 4-substituted benzonitriles, 4-substitutedN, N-dimethylanilines, and 4-substituted benzaldehydes have been examined by means of correlation analysis techniques and by ab initio quantum mechanical methods (MP2/ 6-31G(d) level). From this study it is concluded that in the gas phase, 4-(dimethylamino)-benzonitrile essentially protonates on the dimethylamino group, while protonated 4-cyanobenzaldehyde is very nearly a 2∶1 mixture of the carbonyl- and cyano-protonated forms.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF02275158

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