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

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

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, yield...

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Veröffentlicht in:International journal of molecular sciences 2003-02, Vol.4 (3), p.107-118
Hauptverfasser: Vyacheslav A. Chertkov, Sergei V. Zubkov
Format: Artikel
Sprache:eng
Schlagworte:
cyclopentane conformations
High resolution NMR
NMR lineshape
pseudorotation
VALISA
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Zusammenfassung: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.
ISSN:1422-0067
DOI:10.3390/i4030107