Acid assisted proton transfer in 4‐[(4‐ R ‐phenylimino)methyl]pyridin‐3‐ols: NMR spectroscopy in solution and solid state, X‐ray and UV studies and DFT calculations | Zendy

Perona Almudena | Zendy; Sanz Dionisia | Zendy; Claramunt Rosa M. | Zendy; Pinilla Elena | Zendy; Torres M. Rosario | Zendy; Elguero José | Zendy

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Acid assisted proton transfer in 4‐[(4‐ R ‐phenylimino)methyl]pyridin‐3‐ols: NMR spectroscopy in solution and solid state, X‐ray and UV studies and DFT calculations

Author(s) -

Perona Almudena,

Sanz Dionisia,

Claramunt Rosa M.,

Pinilla Elena,

Torres M. Rosario,

Elguero José

Publication year - 2007

Publication title -

journal of physical organic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.325

H-Index - 66

eISSN - 1099-1395

pISSN - 0894-3230

DOI - 10.1002/poc.1217

Subject(s) - chemistry , tautomer , protonation , proton , chemical shift , nuclear magnetic resonance spectroscopy , spectroscopy , solid state , solid state nuclear magnetic resonance , proton nmr , nmr spectra database , computational chemistry , crystallography , spectral line , stereochemistry , nuclear magnetic resonance , organic chemistry , ion , physics , quantum mechanics , astronomy

The behaviour of Schiff bases of 3‐hydroxy‐4‐pyridincarboxaldehyde and 4‐ R ‐anilines (RH, CH 3 , OCH 3 , Br, Cl, NO 2 ) in acid media has been described. 1 H, 13 C, 15 N‐NMR chemical shifts allow to establish the protonation site and its influence on the hydroxyimino/oxoenamino tautomerism. DFT calculations, electronic spectra and X‐ray diffraction are in agreement with the NMR conclusions. Copyright © 2007 John Wiley & Sons, Ltd.

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