15.3 |
Nuclear Quadrupole Resonance (NQR) Spectroscopy |
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If two charges e and –e are separated by a distance d, they constitute an electric dipole of moment ed. The units are Debye (10-18 esu.cm), or in the MKS, Cm. (Coulomb meter). More extended charge distributions such as two + and two – charges separated from one another lead to a quadrupole moment eQ which is defined as
eQ = ∫ρ(x,y,z) r2 (3 cos2θ-1)dτ (15.3)
Here, ρ(x,y,z) is the charge density at r = (x,y,z), θ, the polar angle and dτ, the volume of integration. Nuclei with spins I ≥ 1 have a quadrupole moment. Nuceli with spins ½ do possess a dipole moment, but their quadrupole moment is zero as the +ve charge density contribution is cancelled by the –ve contribution in Eq. (15.3).
A point charge e interacts with the electrostatic potential V at its location to give an interaction energy eV. A “point” dipole μ interacts with the electric field E in which it is placed to give energy - μ.E The quadrupole interacts with the electric field gradient, whose components are given as the second derivative of the electrostatic potential
eqij = ∂V / ∂xi ∂xj ; xi = x,y,z, xj = x,y,z (15.4)
The quadrupole moment can be positive or negative, depending on the shape of the nucleus. Two cases are shown in Fig 15.3.
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Figure 15.3. Nuclear spins with I ≥ 1 having positive and negative quadrupole moments. |