Studies towards rotational dynamics of dimethyl 2-(triphenylphosphoranylidene) succinate by 1H NMR

• Published in: Journal of molecular structure Vol. 1051; pp. 276 - 279
• Main Authors: Rodrigues, Shirley M.M., Palaretti, Vinicius, Nardini, Viviani, Constantino, Mauricio G., da Silva, Gil Valdo J.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05-11-2013
• Subjects: Dimethyl; Dynamic 1H NMR; Dynamic tests; Dynamics; Geometrical isomers; Gibbs free energy of activation; Isomers; Mathematical analysis; Nuclear magnetic resonance; nuclear magnetic resonance spectroscopy; Rotational; Solvent effects; Spectra; spectral analysis; succinic acid; Dynamic 1H NMR; Gibbs free energy of activation; Geometrical isomers; Solvent effects
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2013.08.025

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•Restricted rotation explains variations of NMR data with temperature.•From the VT NMR studies we calculated the energy of activation for the rotational process.•The ratio of E:Z isomers depend on the solvent.
We describe here the dynamic 1H NMR studies of dimethyl 2-(triphenylphosphoranylidene) succinate (1). Phosphorane 1 has a bond presenting slow (in the 1H NMR time scale) rotation which results in spectra of two isomers at the same time. From the spectral data were calculated the rate constant and thermodynamic parameters for the rotational process.