In situ ligand and complex transformation of an iron(iii) schiff base complex: Structural evidence and theoretical calculations

Gui Lei Liu; Shu Fang He; Shaowen Zhang; Hui Li

doi:10.1039/c2dt30162h

In situ ligand and complex transformation of an iron(iii) schiff base complex: Structural evidence and theoretical calculations

Gui Lei Liu
, Shu Fang He
, Shaowen Zhang^*
, Hui Li

^*Corresponding author for this work

School of Chemistry and Chemical Engineering

Beijing Institute of Technology

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

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, [FeNaL¹₂(H₂O)₄]₂·2H₂O (1) (H₂L¹ = (Z)-2-(2-hydroxyl)benzylideneamino) and [FeL²]₂·7.5H₂O (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.

Original language	English
Pages (from-to)	6256-6262
Number of pages	7
Journal	Journal of the Chemical Society. Dalton Transactions
Volume	41
Issue number	20
DOIs	https://doi.org/10.1039/c2dt30162h
Publication status	Published - 1 May 2012

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title = "In situ ligand and complex transformation of an iron(iii) schiff base complex: Structural evidence and theoretical calculations",

abstract = "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, [FeNaL12(H2O)4]2·2H2O (1) (H2L1 = (Z)-2-(2-hydroxyl)benzylideneamino) and [FeL2]2·7.5H2O (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.",

author = "Liu, \{Gui Lei\} and He, \{Shu Fang\} and Shaowen Zhang and Hui Li",

year = "2012",

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doi = "10.1039/c2dt30162h",

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pages = "6256--6262",

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TY - JOUR

T1 - In situ ligand and complex transformation of an iron(iii) schiff base complex

T2 - Structural evidence and theoretical calculations

AU - Liu, Gui Lei

AU - He, Shu Fang

AU - Zhang, Shaowen

AU - Li, Hui

PY - 2012/5/1

Y1 - 2012/5/1

N2 - 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, [FeNaL12(H2O)4]2·2H2O (1) (H2L1 = (Z)-2-(2-hydroxyl)benzylideneamino) and [FeL2]2·7.5H2O (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.

AB - 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, [FeNaL12(H2O)4]2·2H2O (1) (H2L1 = (Z)-2-(2-hydroxyl)benzylideneamino) and [FeL2]2·7.5H2O (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.

UR - https://www.scopus.com/pages/publications/84860451215

U2 - 10.1039/c2dt30162h

DO - 10.1039/c2dt30162h

M3 - Article

AN - SCOPUS:84860451215

SN - 1470-479X

VL - 41

SP - 6256

EP - 6262

JO - Journal of the Chemical Society. Dalton Transactions

JF - Journal of the Chemical Society. Dalton Transactions

IS - 20

ER -

In situ ligand and complex transformation of an iron(iii) schiff base complex: Structural evidence and theoretical calculations

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