A covalent fraction model for lanthanide compounds

被引：68

作者：

Carlos, LD

Malta, OL

Albuquerque, RQ

机构：

[1] Univ Aveiro, Dept Fis, P-3810193 Aveiro, Portugal

[2] Univ Aveiro, CICECO, P-3810193 Aveiro, Portugal

[3] Univ Fed Pernambuco, CCEN, Dept Quim Fundamental, BR-50670901 Recife, PE, Brazil

[4] Univ Bern, Dept Chem & Biochem, Bern, Switzerland

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 415卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2005.09.001

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We formalize the ordinal covalency scale for lanthanide compounds, introduced in a previous work, through an analytical function (the covalent fraction) of the overlap polarizability. The inverse of a parameter appearing in this function is interpreted as a typical average volume of the overlap region. The red shift in the nephelauxetic effect for the D-5(0) -> F-7(0) transition is analyzed, for 15 europium compounds, in terms of the ligand field strength parameter, N-v, and the covalent fraction. A clear tendency of this shift to increase with the covalent fraction is observed. A similar trend, though less clear, is also observed with respect to N-v, which is interpreted as a reflection of covalent effects in the ligand field parameters. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：238 / 242

页数：5

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