Radial integrals <r(k)>4f and nephelauxetic effect of Nd3+ in crystals.
The radial expectation values <r(k)>4f,k=2, 4, 6, for oxygen- or halogen- coordinated Nd(3+) ions in 25 crystals have been obtained from experimental Slater parameter shifts ΔFk=Fk (free ion) - Fk (crystal) by means of the dielectric screening model. The <r(k)>4f values found by this new approach are compatible with those computed by relativistic 4f wave functions. The nephelauxetic ratios βk in respect to the free ion Nd IV have been also determined and related to covalency and bonding parameters.
Department of Physical Chemistry, Faculty of Chemistry, Plovdiv University, 24, Tsar Asen Str., 4000 Plovdiv, Bulgaria. Electronic address: petrov_d_n@abv.bg.
D
D
Petrov
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B
Angelov
D055598:Chemical Phenomena; D003460:Crystallization; D004560:Electricity; D009354:Neodymium / Q000737:chemistry*
D009354:Neodymium
4f radial integrals; Dielectric screening; Neodymium (3+); Nephelauxetic effect