In situ ligand and complex transformation of an iron(III) Schiff base complex: structural evidence and theoretical calculations

被引：9

作者：

Liu, Gui-lei ^{[1
]}

He, Shu-fang ^{[1
]}

Zhang, Shaowen ^{[1
]}

Li, Hui ^{[1
]}

机构：

[1] Beijing Inst Technol, Sch Chem, Minist Educ, Key Lab Cluster Sci, Beijing 100081, Peoples R China

来源：

DALTON TRANSACTIONS | 2012年 / 41卷 / 20期

关键词：

ORGANIC COORDINATION POLYMERS; SINGLE-CRYSTAL TRANSFORMATION; COMPACT EFFECTIVE POTENTIALS; MAIN-GROUP THERMOCHEMISTRY; EXPONENT BASIS-SETS; HYDROTHERMAL SYNTHESIS; SOLID-STATE; TOPOCHEMICAL PHOTODIMERIZATION; NONCOVALENT INTERACTIONS; KINETICS;

D O I：

10.1039/c2dt30162h

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A C-C coupling reaction has been achieved at room temperature by in situ ligand transformation. The iron(III) complexes before and after the in situ transformation, [FeNaL21(H2O)(4)](2)center dot 2H(2)O (1) (H2L1 = (Z)-2-(2-hydroxyl)benzylideneamino) and [FeL2](2)center dot 7.5H(2)O (2) (H3L2 = (E)-2-(2-hydroxyl-benzylideneamino)-3-hydroxyl-3-(2-hydroxyphenyl), have been studied by elemental analyses, FT-IR, UV-vis, TGA and X-ray single crystal diffraction analysis. The proposed mechanism of this in situ transformation has been determined based on structural evidence and theoretical calculations using the density functional theory (DFT) M06 method.

引用

页码：6256 / 6262

页数：7

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