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[交流] 怎么理解分子的四级矩 已有2人参与

怎么理解分子的四级矩,与偶极矩比较的话

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yjjc2012

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冰点降温: 金币+3, 鼓励互动交流。 2018-01-23 10:12:57
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2楼: Originally posted by mbchen at 2017-05-24 08:37:36
完整的答案需要用张量分析,下面只是不严格但又不失准确性地做个对比:
(1)偶极矩:1维空间中的电荷分布,其正负电荷的重心在原点,且为零。
(2)四极矩:2维空间中的电荷分布,其正负电荷的重心在原点,且为零 ...

陈老师您好,我想请教一个相关的问题,关于核磁共振的四极矩:

https://www.chem.wisc.edu/areas/ ... lti-02-effects-quad

Quadrupolar Relaxation (QR). This mechanism operates for spin >½ nuclei only, and works well only for nuclei which are not at the center of tetrahedral or octahedral symmetry. Spin ½ nuclei can be considered to have spherical charge distributions, but for spin >½ nuclei the charge distribution has the shape of an oblate or prolate spheroid. Electric field gradients in such molecules exert a torque on the quadrupolar nuclei. Tumbling of the molecule can then initiate transitions among the spin states - there is "friction" between the nucleus and the surrounding electrons, the "quadrupole coupling constant" e2Qqz/h. The effectiveness of this relaxation mechanism is critically dependent on Q. If Q is small (as for 2H and 6Li, both with I = 1) the behaviour almost like that of a spin ½ nucleus (i.e. there is only a small deviation from spherical symmetry), if it is large the nucleus can have very short T1, observation can be very difficult, and spin-spin splitting to the nucleus cannot be observed

核磁的四极矩驰豫现象我可以说是知其然而不知其所以然,尤其对于上文的“spin >½ nuclei the charge distribution has the shape of an oblate or prolate spheroid. Electric field gradients in such molecules exert a torque on the quadrupolar nuclei” 不太理解,能否麻烦您定性地解释一下?
3楼2018-01-19 16:16:00
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mbchen

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冰点降温: 金币+3, ICEPI+1, 应助指数+1, 谢谢专家解答,辛苦了。 2017-05-24 09:10:02
完整的答案需要用张量分析,下面只是不严格但又不失准确性地做个对比:
(1)偶极矩:1维空间中的电荷分布,其正负电荷的重心在原点,且为零。
(2)四极矩:2维空间中的电荷分布,其正负电荷的重心在原点,且为零。
(3)八极矩:3维空间中的电荷分布,其正负电荷的重心在原点,且为零。
其中,“正负电荷的重心”的含义类似于“重心”,区别只是后者是质量的重心,各质点的质量恒为正值;而前者是电荷的重心,各点的电荷量可为正值或负值。

形象化的表示为:
(1)偶极矩:1维空间中-q和+q两个点电荷,两者的中点位于原点。
(2)四极矩:2维空间中两个-q和两个+q,共4个点电荷交替地占据正方形的4个角,正方形的中心在原点。
(3)八极矩:3维空间中4个-q和4个+q,共8个点电荷分别交替地占据立方体的8个角,立方体的中心在原点。
可类似地想象更高阶的矩。
2楼2017-05-24 08:37:36
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