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The Hindered Internal Rotations in a Particular Phosphorane Involving a 6-aza Thiothymine: An Experimental Dynamic 1H NMR Study with Three Methods of Determining Activation Parameters

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Abstract

The hindered internal rotations around the partial carbon–carbon double bond , nitrogen–carbon and carbon–carbon single bonds within the dimethyl-2-(6-aza thiothymin-1-yl)-3-(triphenyl-phosphoran ylidene) butandioate has been experimentally studied by the dynamic 1H nuclear magnetic resonance (NMR) spectroscopic in variable temperatures. The activation (∆H ‡, ∆S ‡, ∆G ‡) and kinetic (k c, E a) parameters were calculated in a series of separate dynamic 1H NMR spectra. The energy of activation parameters obtained from classic, Eyring and Arrhenius methods were also compared. The results from Eyring and Arrhenius plots were in good agreement; however, were slightly different from the classic method.

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Acknowledgments

We gratefully acknowledge financial support from the Research Council of the University of Sistan and Baluchestan.

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Authors and Affiliations

  1. Department of Chemistry, University of Sistan and Baluchestan, P. O. Box 98135-674, Zahedan, Iran

    Eideh Mofarrah, Sayyed Mostafa Habibi-Khorassani, Malek Taher Maghsoodlou & Mehdi Shahraki

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  1. Eideh Mofarrah
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  2. Sayyed Mostafa Habibi-Khorassani
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  3. Malek Taher Maghsoodlou
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  4. Mehdi Shahraki
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Correspondence to Sayyed Mostafa Habibi-Khorassani.

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Mofarrah, E., Habibi-Khorassani, S.M., Maghsoodlou, M.T. et al. The Hindered Internal Rotations in a Particular Phosphorane Involving a 6-aza Thiothymine: An Experimental Dynamic 1H NMR Study with Three Methods of Determining Activation Parameters. Appl Magn Reson 46, 1179–1188 (2015). https://doi.org/10.1007/s00723-015-0703-2

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  • DOI: https://doi.org/10.1007/s00723-015-0703-2

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