Experimental determination of pseudorotation potentials for disubstitutedcyclopentanes based on spin-spin coupling constants

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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.

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Zubkov, S. V., & Chertkov, V. A. (2003). Experimental determination of pseudorotation potentials for disubstitutedcyclopentanes based on spin-spin coupling constants. International Journal of Molecular Sciences, 4(3), 107–118. https://doi.org/10.3390/i4030107

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