scholarly journals Theoretical study of the structural dependence of nuclear quadrupole frequencies in high-Tcsuperconductors

1989 ◽  
Vol 40 (13) ◽  
pp. 8809-8813 ◽  
Author(s):  
M. E. Garcia ◽  
K. H. Bennemann
Keyword(s):  
Theoretical Study ◽  
Structural Dependence ◽  
Nuclear Quadrupole

A Theoretical Study of the Vibrational Dependence of the Nuclear Quadrupole Coupling Constants of some Diatomic Molecules

1994 ◽  
Vol 49 (1-2) ◽  
pp. 133-136
Author(s):  
E.A.C. Lucken
Keyword(s):  
Field Gradient ◽  
Theoretical Study ◽  
Diatomic Molecules ◽  
Quadrupole Coupling Constant ◽  
Coupling Constants ◽  
Coupling Constant ◽  
Nuclear Quadrupole Coupling Constant ◽  
Second Derivatives ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The nuclear quadrupole coupling constant was calculated as a function of inter nuclear distance for nine quadrupolar nuclei in eight diatomic molecules by the STO 321G method. From the value of the field-gradient and its first and second derivatives the vibrational dependence of the coupling constants were calculated and shown to com pare satisfactorily with experiment. The behaviour of the field-gradient as a function of inter nuclear distance can in most cases be rationalized in terms of the field-gradient that will arise for the infinitely separated atoms.

Sign in / Sign up

Export Citation Format

Share Document