Fluorescence Properties and Density Functional Theory Calculation of a Structurally Characterized Heterotetranuclear [ZnII2–SmIII2] 4,4′-Bipy-Salamo-Constructed Complex

A new heterotetranuclear complex, [{Zn(L)Sm(NO3)3}2(4,4′-bipy)]·2CH3OH, was synthesized via an unsymmetrical single salamo-like ligand H2L: 6-methoxy-6′-ethoxy-2,2′-[ethylenedioxybis(azinomethyl)]diphenol, with Zn(OAc)2·2H2O, Sm(NO3)3·6H2O, and 4,4′-bipyridine by the one-pot method. The [ZnII2–SmIII...

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Published in:Crystals (Basel) 2019-11, Vol.9 (11), p.602
Main Authors: An, Xiao-Xin, Liu, Chang, Chen, Zhuang-Zhuang, Xie, Ke-Feng, Zhang, Yang
Format: Article
Language:English
Subjects:
Crystal structure
Crystallography
Density functional theory
dft calculation
Ethanol
Fluorescence
fluorescence property
heterotetranuclear complex
Hydrocarbons
Infrared analysis
Infrared spectroscopy
Ligands
Mathematical analysis
Nitrogen
Single crystals
Spectroscopic analysis
unsymmetrical salamo-like ligand
X ray powder diffraction
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creator An, Xiao-Xin
Liu, Chang
Chen, Zhuang-Zhuang
Xie, Ke-Feng
Zhang, Yang
description A new heterotetranuclear complex, [{Zn(L)Sm(NO3)3}2(4,4′-bipy)]·2CH3OH, was synthesized via an unsymmetrical single salamo-like ligand H2L: 6-methoxy-6′-ethoxy-2,2′-[ethylenedioxybis(azinomethyl)]diphenol, with Zn(OAc)2·2H2O, Sm(NO3)3·6H2O, and 4,4′-bipyridine by the one-pot method. The [ZnII2–SmIII2] complex was validated via elemental analysis, powder X-ray diffraction (PXRD) analysis, infrared spectroscopy, and ultraviolet–visible (UV–Vis) absorption spectroscopy. The X-ray single crystal diffraction analysis of the [ZnII2–SmIII2] complex was carried out via X-ray single-crystal crystallography. The crystal structure and supramolecular features were discussed. In addition, while studying the fluorescence properties of the [ZnII2–SmIII2] complex, the density functional theory (DFT) calculation of its structure was also performed.
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subjects Crystal structure
Crystallography
Density functional theory
dft calculation
Ethanol
Fluorescence
fluorescence property
heterotetranuclear complex
Hydrocarbons
Infrared analysis
Infrared spectroscopy
Ligands
Mathematical analysis
Nitrogen
Single crystals
Spectroscopic analysis
unsymmetrical salamo-like ligand
X ray powder diffraction
title Fluorescence Properties and Density Functional Theory Calculation of a Structurally Characterized Heterotetranuclear [ZnII2–SmIII2] 4,4′-Bipy-Salamo-Constructed Complex
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