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通过气相核磁共振谱测定(129)Xe和(131)Xe的核磁偶极矩。

(129) Xe and (131) Xe nuclear magnetic dipole moments from gas phase NMR spectra.

作者信息

Makulski Włodzimierz

机构信息

Laboratory of NMR Spectroscopy, Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland.

出版信息

Magn Reson Chem. 2015 Apr;53(4):273-9. doi: 10.1002/mrc.4191. Epub 2015 Jan 16.

Abstract

(3) He, (129) Xe and (131) Xe NMR measurements of resonance frequencies in the magnetic field B0=11.7586 T in different gas phase mixtures have been reported. Precise radiofrequency values were extrapolated to the zero gas pressure limit. These results combined with new quantum chemical values of helium and xenon nuclear magnetic shielding constants were used to determine new accurate nuclear magnetic moments of (129) Xe and (131) Xe in terms of that of the (3) He nucleus. They are as follows: μ((129) Xe) = -0.7779607(158)μN and μ((131) Xe) = +0.6918451(70)μN . By this means, the new 'helium method' for estimations of nuclear dipole moments was successfully tested. Gas phase NMR spectra demonstrate the weak intermolecular interactions observed on the (3) He and (129) Xe and (131) Xe shielding in the gaseous mixtures with Xe, CO2 and SF6 .

摘要

已经报道了在不同气相混合物中,于磁场B0 = 11.7586 T下对³He、¹²⁹Xe和¹³¹Xe共振频率的核磁共振测量。精确的射频值被外推至零气压极限。这些结果与氦和氙核磁屏蔽常数的新量子化学值相结合,用于根据³He原子核的核磁矩确定¹²⁹Xe和¹³¹Xe新的精确核磁矩。结果如下:μ(¹²⁹Xe) = -0.7779607(158)μN,μ(¹³¹Xe) = +0.6918451(70)μN。通过这种方式,成功测试了用于估计核偶极矩的新“氦方法”。气相核磁共振谱表明,在含有Xe、CO₂和SF₆的气态混合物中,观察到³He、¹²⁹Xe和¹³¹Xe屏蔽上存在弱分子间相互作用。

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