Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants

doi:10.3390/i4030107

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Int. J. Mol. Sci. 2003, 4(3), 107-118; doi:10.3390/i4030107

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Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants

Sergei V. Zubkov and Vyacheslav A. Chertkov *

NMR laboratory, Department of Chemistry, Moscow State University, Moscow, 119899, Russia

* Author to whom correspondence should be addressed.

Received: 5 August 2002 / Accepted: 5 November 2002 / Published: 25 February 2003

(This article belongs to the Special Issue Nuclear Magnetic Resonance Spin-Spin Coupling Constants - Calculations and Measurements - Part I)

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Abstract: Complete analysis of ¹H-NMR spectra of trans-1,2-dichlorocyclopentane and trans-1,2-dibromocyclopentane was performed with use of our total lineshape fitting algorithm VALISA. The resulting high precision spin-spin coupling constants were then applied to the problem of conformational analysis, yielding a continuos potential of pseudorotation for the studied compounds in CDCl₃, CCl₄, and CD₃CN solutions.

Keywords: High resolution NMR; pseudorotation; NMR lineshape; cyclopentane conformations; VALISA

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MDPI and ACS Style

Zubkov, S.V.; Chertkov, V.A. Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants. Int. J. Mol. Sci. 2003, 4, 107-118.

AMA Style

Zubkov S.V., Chertkov V.A. Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants. International Journal of Molecular Sciences. 2003; 4(3):107-118.

Chicago/Turabian Style

Zubkov, Sergei V.; Chertkov, Vyacheslav A. 2003. "Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants." Int. J. Mol. Sci. 4, no. 3: 107-118.

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