Design of molecular switches and sensors based on proton transfer - Theory vs. experiment

Substituent and solvent effects on tautomeric equilibria of isomeric phenylazo naphthols and the analogous Schiff bases are calculated by various quantum chemical methods and solvation models. Special emphasis is put on the reliability of the computational procedures used. The results obtained shoul...

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Bibliographische Detailangaben
Hauptverfasser:	Fabian Walter M F, Tahir, Ali S
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	EQUILIBRIUM Imines INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY Molecular machines NAPHTHOLS NMR SPECTRA NMR spectroscopy NUCLEAR MAGNETIC RESONANCE Organic chemistry PROTONS Quantum chemistry RELIABILITY SCHIFF BASES SENSORS SOLVATION SOLVENTS SWITCHES ULTRAVIOLET SPECTRA VISIBLE SPECTRA
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