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Y. Buslaev, E. Kravchenko, L. Kolditz (1987)
Nuclear quadrupole resonance in inorganic chemistryCoordination Chemistry Reviews, 82
Doklady Chemistry, Vol. 379, Nos. 4–6, 2001, pp. 212–215. Translated from Doklady Akademii Nauk, Vol. 379, No. 4, 2001, pp. 497–500. Original Russian Text Copyright © 2001 by Serezhkin, Serezhkina, Pushkin, Kravchenko, Buslaev. CHEMISTRY Determination of Quadrupole Coupling Constants from Characteristics of Voronoi–Dirichlet Polyhedra V. N. Serezhkin*, L. B. Serezhkina*, D. V. Pushkin*, E. A. Kravchenko**, and Academician Yu. A. Buslaev ** Received April 27, 2001 As is well known, a nucleus with a nonspherical dis- polymers, which include most of the compounds under tribution of the positive charge (with the spin I > 1/2) consideration, the charge-density distribution and, has the electric quadrupole moment eQ, which interacts hence, EFGs (and QCC) are primarily determined by specific features of the three-dimensional crystal struc- with the electric field gradient (EFG) eq = e ¶ V/¶ x (V ij ij ture. is the electric field potential) created by the charge dis- Classical methods of crystal-chemical analysis, in tribution surrounding this nucleus. The energy of this which atoms are approximated by hard spheres of a def- interaction, or the quadrupole coupling constant inite radius, have failed to reveal quantitative correla- (QCC), is determined from experimental NQR spectra tions between crystal-structural characteristics of
Doklady Chemistry – Springer Journals
Published: Oct 12, 2004
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