SYNTHESIS AND CHARACTERIZATION OF A HEPTADENTATE (N4O3) SCHIFF BASE LIGAND AND ASSOCIATED La(III), Sm(III) AND Gd(III) COMPLEXES, AND A THEORETICAL STUDY

被引：0

作者：

Salehzadeh, Sadegh ^{[1
]}

Bayat, Mehdi ^{[1
]}

Davoodi, Leila ^{[1
]}

Golbedaghi, Reza ^{[1
]}

Izadkhah, Vida ^{[2
]}

机构：

[1] Bu Ali Sina Univ, Fac Chem, Hamadan, Iran

[2] Islamic Azad Univ, Hamedan Branch, Tehran, Iran

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA | 2010年 / 24卷 / 01期

关键词：

Ab initio; Heptadentate ligands; Lanthanide ions; Schiff base complexes; LANTHANIDE COMPLEXES; STRUCTURAL-CHARACTERIZATION; CRYSTAL;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new symmetrical potentially heptadentate (N4O3) Schiff base ligand {N[CH2CH2CH2N=CH(2-OH-5-BrC6H3)](3)) (H3L6) and associated neutral Gd(III), La(III) and Stn(III) complexes, were synthesized. The new compounds were characterized by IR spectroscopy, elemental analysis and mass spectrometry in all cases and in the case of ligand also with NMR spectroscopy. The relative capability of H3L6 to encapsulate a lanthanide ion, herein La(III), has been theoretically studied by ab initio restricted Hartree-Fock (RHF) and DFT (B3LYP) methods. The calculation confirmed that the H3L6 ligand can effectively encapsulate a lanthanide ion and enforce a seven-coordinate geometry.

引用

页码：59 / 66

页数：8

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