The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2

2004 ◽  
Vol 4 (3) ◽  
pp. 365-380 ◽  
Author(s):  
Chiara Cappelli ◽  
Ulf Ekström ◽  
Antonio Rizzo ◽  
Sonia Coriani
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Quadrupole Moment ◽  
Electric Quadrupole ◽  
Electric Quadrupole Moment

On the electric field gradient induced birefringence and electric quadrupole moment of CO, N[sub 2]O, and OCS

2003 ◽  
Vol 118 (16) ◽  
pp. 7329 ◽  
Author(s):  
Sonia Coriani ◽  
Asger Halkier ◽  
Dan Jonsson ◽  
Jürgen Gauss ◽  
Antonio Rizzo ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Quadrupole Moment ◽  
Electric Quadrupole ◽  
Electric Quadrupole Moment

A self-consistent field wavefunction suited for calculation of the electric field gradient in HCl

1976 ◽  
Vol 54 (12) ◽  
pp. 1948-1951 ◽  
Author(s):  
J. E. Grabenstetter ◽  
M. A. Whitehead
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Electric Quadrupole ◽  
Basis Set ◽  
Electric Quadrupole Moment ◽  
Single Centre ◽  
Expectation Value ◽  
Consistent Field ◽  
Self Consistent Field

A single-centre basis set on Cl is developed for an SCF calculation on HCl to give an accurate expectation value for the electric field gradient at the Cl nucleus. The SCF energy, orbital eigenvalues, dipole moment, molecular electric quadrupole moment, Hellmann–Feynman force on Cl and virial ratio are also reported, and the variation of the electric field gradient at Cl with changes in internuclear distance is examined.

scholarly journals Comment on: “Some quantum aspects of a particle with electric quadrupole moment interacting with an electric field subject to confining potentials”

2020 ◽  
Vol 35 (25) ◽  
pp. 2075002
Author(s):  
Francisco M. Fernández
Keyword(s):  
Electric Field ◽  
Quadrupole Moment ◽  
Bound States ◽  
Electric Quadrupole ◽  
Bound State ◽  
Electric Quadrupole Moment ◽  
Bound State Spectrum ◽  
Moving Particle ◽  
Quantum Aspects

We analyze the results obtained from a model consisting of the interaction between the electric quadrupole moment of a moving particle and an electric field. We argue that the system does not support bound states because the motion along the [Formula: see text] axis is unbounded. It is shown that the author obtains a wrong bound-state spectrum for the motion in the [Formula: see text] plane and that the existence of allowed cyclotron frequencies is an artifact of the approach.

NUCLEAR ELECTRIC QUADRUPOLE INTERACTION IN SINGLE CRYSTALS

1952 ◽  
Vol 30 (3) ◽  
pp. 270-289 ◽  
Author(s):  
G. M. Volkoff ◽  
H. E. Petch ◽  
D. W. L. Smellie
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Electric Quadrupole ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Gradient Tensor ◽  
Absolute Value ◽  
Principal Axes ◽  
Quadrupole Coupling

Pound's theory of the dependence of electric quadrupole splitting of nuclear magnetic resonance absorption lines in a single crystal on the orientation of the crystal in an external magnetic field is extended to cover the case of a crystal with nonaxially symmetric electric field gradient at the site of the nuclei being investigated. It is shown that an experimental study of the angular dependence of this splitting for three independent rotations of the crystal about any three mutually perpendicular axes will yield complete information about the orientation of the principal axes and the degree of axial asymmetry of the electric field gradient tensor at the site of the nuclei, and also will give the absolute value of the quadrupole coupling constant for those nuclei.The authors' experiments on the splitting of the Li7 absorption lines in a single crystal of LiAl(SiO3)2 (spodumene) are described and are used to illustrate the theory. The absolute value of the quadrupole coupling constant for the Li7 nuclei in spodumene is found to be [Formula: see text]. per sec. The axial asymmetry parameter of the field gradient tensor at the site of the Li nuclei is found to be η≡(ϕxx−ϕvv)ϕzz=0.79 ± 0.01. One of the principal axes of this tensor (the y axis corresponding to the eigenvalue of intermediate magnitude) is experimentally found to coincide with the b crystallographic axis of monoclinic spodumene as required by the known symmetry of the crystal. The other two principal axes are in the ac plane, the z axis (corresponding to the eigenvalue ϕzz of greatest magnitude) lying between the a and c axes at an angle of 48° ± 2° with the c axis.

Sign in / Sign up

Export Citation Format

Share Document