An introduction to Solid State NMR and its Interactions
An introduction to Solid State NMR and its Interactions
An introduction to Solid State NMR and its Interactions
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The quadrupole Interaction<br />
I1/2<br />
Electric coupling between the nuclear quadrupole moment Q<br />
<strong>and</strong> local electric field gradient V(r nuc<br />
) at the nucleus<br />
Quadrupolar Coupling Constant ( ~ MHz )<br />
C Q<br />
= eQ h V ZZ<br />
Quadrupolar asymmetry parameter<br />
First order<br />
C Q<br />
H 1 Q<br />
=<br />
6I2I−1 ×R Q ×T<br />
20<br />
20<br />
Second order (complex...)<br />
H Q 2 = 1 0<br />
C Q<br />
Q<br />
= V −V XX YY<br />
V iso<br />
=0<br />
V ZZ<br />
T 2,0=<br />
1 3 I 2 Z<br />
−I I1<br />
6<br />
6I2I−1 × ∑ l=0,2,4<br />
A l ∑ k=−l ,l<br />
B l k<br />
k<br />
D l , 0<br />
A l = f I Z 3 , I Z<br />
<br />
Second Order Quadrupolar Induced Shift !<br />
Q 2 =A 0 B 0 0 <br />
Isotropic shift
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