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

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Xiao‐Xin An , Chang Liu , Zhuangzhuang Chen , Kefeng Xie , Yang Zhang ·

YOU? · · 2019 · Open Access · · DOI: https://doi.org/10.3390/cryst9110602

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.

Related Topics

$Powder Diffraction$

Infrared Spectroscopy

Crystal Structure

Ligand (Biochemistry)

$Diffraction$

Concepts

Density functional theory Powder diffraction Fluorescence Crystallography Elemental analysis Single crystal Infrared spectroscopy Supramolecular chemistry Crystal structure Ligand (biochemistry) Chemistry Fluorescence spectroscopy Absorption spectroscopy Spectroscopy Absorption (acoustics) Diffraction Materials science Inorganic chemistry Computational chemistry Organic chemistry Physics Optics Receptor Quantum mechanics Composite material Biochemistry

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Type: article
Language: en
Landing Page: https://doi.org/10.3390/cryst9110602
PDF: https://www.mdpi.com/2073-4352/9/11/602/pdf
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Cited By: 59
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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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Language: en

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Publication year: 2019

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Publication date: 2019-11-17

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Authors: Xiao‐Xin An, Chang Liu, Zhuangzhuang Chen, Kefeng Xie, Yang Zhang

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Concepts: Density functional theory, Powder diffraction, Fluorescence, Crystallography, Elemental analysis, Single crystal, Infrared spectroscopy, Supramolecular chemistry, Crystal structure, Ligand (biochemistry), Chemistry, Fluorescence spectroscopy, Absorption spectroscopy, Spectroscopy, Absorption (acoustics), Diffraction, Materials science, Inorganic chemistry, Computational chemistry, Organic chemistry, Physics, Optics, Receptor, Quantum mechanics, Composite material, Biochemistry

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Cited by: 59

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