Tautomeric Equilibria of 3-Formylacetylacetone: Low-Temperature NMR Spectroscopy and ab Initio Calculations

…, I Hussain, P Langer, M Rettig, K Weisz

Index: Basilio Janke, Eline M.; Schlund, Sebastian; Paasche, Alexander; Engels, Bernd; Dede, Ruediger; Hussain, Ibrar; Langer, Peter; Rettig, Michael; Weisz, Klaus Journal of Organic Chemistry, 2009 , vol. 74, # 13 p. 4878 - 4881

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Citation Number: 7

Abstract

Keto− enol tautomerization of 3-formylacetylacetone has been studied by NMR spectroscopy, ab initio, and DFT calculations in the gas phase and continuum solvation. By employing very low temperatures in a freonic solvent, tautomeric and conformational ...

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