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首页> 外文期刊>journal of chemical physics >Analysis of Nuclear Magnetic Resonance Spectra of Molecules in Liquidhyphen;Crystal Solvents
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Analysis of Nuclear Magnetic Resonance Spectra of Molecules in Liquidhyphen;Crystal Solvents

机译:Analysis of Nuclear Magnetic Resonance Spectra of Molecules in Liquidhyphen;Crystal Solvents

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摘要

A convenient method to analyze the highhyphen;resolution nuclear magnetic resonance spectra of molecules dissolved in liquidhyphen;crystal solvents is described and related to basic theory of magnetic resonance. The method is applied to analyze the proton and fluorine NMR spectra of monofluorobenzene in a nematic liquidhyphen;crystal solvent. Parameters deduced from this analysis and describing the anisotropic molecular motion, the direct magnetic dipolemdash;dipole interactionsDij,the indirect spinmdash;spin couplingsJij,and the anisotropy of the diamagnetic shielding constant of F in the Csngbnd;F bond are summarized and compared with the values for benzene and hexafluorobenzene in the same solvent. It is shown that agreement of experimental and computerhyphen;simulated theoretical spectra is probably limited by the accuracy of relative bond lengths in the assumed geometry for fluorobenzene. It is concluded that for many molecules having a large number (Nge;3) of spinhyphen;frac12; nuclei, it is possible in the analysis of these spectra to reject incorrect hypothetical geometries and even to obtain refined relative positions for the magnetic nuclei.

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