Quadrupole interaction energy

Quadrupole interaction energy tensor X Residual resistivity (solid state) Pr... 

For nuclear systems with a suitable cylindrical symmetry, the quadrupole interaction energy, Ey, is given by [143]... 

The second term in Eq. (II. 1) is the crucial one in discussing NQR investigations in the frame of chemical bonding in the solid state. In a general form, we may write the nuclear quadrupole interaction energy as... 

The same motion which reduces the chemical shift dispersion of the adsorbed nitrogen also reduces the field-gradient quadrupole Interaction energy. For a molecule which is undergoing rotation we can combine Equations 1 and 5 to give... 

The nuclear quadrupole interaction energy tensor / is usually quoted in MHz, corresponding to the value of eQq/h, although the h is usually omitted. 

What is the expression for the energy of interaction between an ion of charge ZjCo and a quadrupole The derivation of a general expression requires sophisticated mathematical techniques, but when the water molecule assumes a symmetrical orientation (Fig. 2.35) to the ion, the ion-quadrupole interaction energy can easily be shown to be (Appendix 2.3)... 

The ion-quadrupole interaction energy is simply given by the charge on the ion times the potential v r at the site of the ion due to the charges of the quadrupole. 

When an comes in contact with water molecules, its ion-quadrupole interaction energy is -394.6 kJ mol . Calculate the quadrupole moment of water (r = 138 pm, rp- = 136 pm,n =. i D). (Contractor)... 

Buckingham s attempt to sum all the significant terms in Table 2.11.1 has led to several new approaches to the problem. Buckingham attributed the differences in solvation enthalpies of anions and cations of equal size to the ion-quadrupole interaction energy. Referring to Fig. 2.11.1, Buckingham used models (c) and (d) as the basis of his calculations. 

For the Li -H2 system, the Hartree-Fock interaction energy, which includes the effect of overlap forces, becomes comparable to that calculated from a perturbative treatment of the electrostatic (ion-quadrupole) and inductive (ion-induced-dipole) contributions when the interaction energy is O.l eV. In this case, however, the Langevin model may not even be used at thermal energies since the ion-quadrupole interaction energy is comparable to that due to the ion-induced-dipole interaction in the relevant range of separation ( SA). ... 

The best fit of the NRS spectra with the theory developed in Ref. 98 was achieved with a combination of quadrupole Interaction energy Qn of 21(2) neV (N indicates normal to the surface ) caused by the broken translational symmetry at the surface and a fluctuating quadrupole interaction Qd (D indicates defect ) caused by inhomogeneities, that is, lattice defects. A dependence of Qd on temperature was found with values varying between 70(5) neV at 570 K and 87( 10) neV... 

AE = energy change or increment = activation energy Eeic = excitation energy E[ = isomer shift energy SB = isomer shift energy difference = nuclear quadrupole interaction energy... 

For all charges external to the nucleus, the potential V(r) satisfies Laplace s equation, 2 =i V = 0. For this source of V(r), the second term in (18.38) vanishes. The first term, which does not vanish, is the electric quadrupole interaction energy, Eq, with the (classical) quadrupole moment tensor of the nucleus given by Q = / p(r)(3x - r ) dr. Electrons having s character penetrate the nucleus, however, since for such electrons the wave function does not vanish at the origin [as with the Fermi contact interaction, eq. (18.10)]. For these electrons, 2 =.i = Aire Q)f, so that the second term in (18.38) becomes... 

The electric quadrupole interaction Eirises from the orientation dependent energy of the non-spherical nucleus in the gradient of the electrostatic field at the nuclear site. In quantum-mechanical terms, the quadrupole interaction energy, E q of (18.41) becomes the quadrupolar hamiltonian operator S qI... 

The quadrupole interaction energy is zero if the nuclear spin / < I, or if the nucleus is in a high-symmetry field such that V = 0. 

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