A theoretical study of a drastic structural change of bis(phthalocyaninato)lanthanide by ligand oxidation: Towards control of ligand field strength and magnetism of single-lanthanide-ionic single molecule magnet

被引：58

作者：

Takamatsu, Satoshi ^{[1
]}

Ishikawa, Naoto ^{[1
]}

机构：

[1] Chuo Univ, Dept Appl Chem, Bunkyo Ku, Tokyo 1128551, Japan

来源：

POLYHEDRON | 2007年 / 26卷 / 9-11期

关键词：

single molecule magnet; terbium; phthalocyanine; double-decker complex; density functional theory;

D O I：

10.1016/j.poly.2006.09.020

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A quantum chemical study based on the density functional theory (DFT) on anionic and cationic bis(phthalocyaninato)lanthanides revealed that removal of two electrons from the anionic complex shortens considerably the separation between phthalocyaninato (Pc) ligands. This suggests that [Pc2Tb](+), which is generated by two-electron oxidation from the [Pc2Tb](-) SMM previously reported, can have significantly larger ligand field splitting than the original anionic form. (c) 2006 Elsevier Ltd. All rights reserved.

引用

页码：1859 / 1862

页数：4

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