Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters

Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters

In the present work, using a sonochemical method, a new lead (II) coordination 1D polymer, [Pb(L)<sub>2</sub>(CH<sub>3</sub>COO)]<sub>n</sub> (L = pyridine-4-carbaldehyde thiosemicarbazone) (<b>1</b>) was prepared. It was characterized structurally wit...

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Main Authors: Jaber Dadashi, Younes Hanifehpour, Babak Mirtamizdoust, Mehdi Abdolmaleki, Elham Mohammadi Jegarkandi, Mahboubeh Rezaei, Sang Woo Joo
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Crystals
Subjects:
coordination compound
crystal structure
X-ray crystallography
ultrasonic irradiation
Pb(II) complex
Online Access:https://www.mdpi.com/2073-4352/11/6/682
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spelling doaj-4669d414414a41a2bc7adb3b6d20c99c2021-07-01T00:09:26ZengMDPI AGCrystals2073-43522021-06-011168268210.3390/cryst11060682Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO ClustersJaber Dadashi0Younes Hanifehpour1Babak Mirtamizdoust2Mehdi Abdolmaleki3Elham Mohammadi Jegarkandi4Mahboubeh Rezaei5Sang Woo Joo6Department of Chemistry, Faculty of Science, University of Qom, Qom P.O. Box 37185-359, IranDepartment of Chemistry, Sayyed Jamaleddin Asadabadi University, Asadabad 6541861841, IranDepartment of Chemistry, Faculty of Science, University of Qom, Qom P.O. Box 37185-359, IranDepartment of Chemistry, Sayyed Jamaleddin Asadabadi University, Asadabad 6541861841, IranDepartment of Chemistry, Faculty of Science, University of Qom, Qom P.O. Box 37185-359, IranDepartment of Chemistry, Faculty of Science, University of Qom, Qom P.O. Box 37185-359, IranSchool of Mechanical Engineering, WCU Nano Research Center, Yeungnam University, Gyeongsan 712-749, KoreaIn the present work, using a sonochemical method, a new lead (II) coordination 1D polymer, [Pb(L)<sub>2</sub>(CH<sub>3</sub>COO)]<sub>n</sub> (L = pyridine-4-carbaldehyde thiosemicarbazone) (<b>1</b>) was prepared. It was characterized structurally with different spectroscopic methods, such as SEM, IR spectroscopy, XRD, and elemental analysis. The coordination compound becomes a stair-step one-dimensional polymer in solid mode. The lead (II) ions have the coordination number of six (PbNS<sub>3</sub>O<sub>2</sub>) with two oxygen atoms from acetate anion and three sulfur atoms and one nitrogen atom from organic ligand. It contains a stereo-chemically active lone electron pair and the hemidirected coordination sphere. The high-intensity ultrasound is considered a flexible, environmentally friendly, and easy synthetic tool for the coordination compounds. PbO clusters was achieved with thermolyzing <b>1</b> at 180 ˚C with oleic acid (as a surfactant). Furthermore, the size and morphology of the created PbO clusters were assessed via SEM. The estimated gap of HOMO and LUMO is 3.275 eV based on DFT calculations.https://www.mdpi.com/2073-4352/11/6/682coordination compoundcrystal structureX-ray crystallographyultrasonic irradiationPb(II) complex
collection DOAJ
language English
format Article
sources DOAJ
author Jaber Dadashi
Younes Hanifehpour
Babak Mirtamizdoust
Mehdi Abdolmaleki
Elham Mohammadi Jegarkandi
Mahboubeh Rezaei
Sang Woo Joo
spellingShingle Jaber Dadashi
Younes Hanifehpour
Babak Mirtamizdoust
Mehdi Abdolmaleki
Elham Mohammadi Jegarkandi
Mahboubeh Rezaei
Sang Woo Joo
Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters
Crystals
coordination compound
crystal structure
X-ray crystallography
ultrasonic irradiation
Pb(II) complex
author_facet Jaber Dadashi
Younes Hanifehpour
Babak Mirtamizdoust
Mehdi Abdolmaleki
Elham Mohammadi Jegarkandi
Mahboubeh Rezaei
Sang Woo Joo
author_sort Jaber Dadashi
title Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters
title_short Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters
title_full Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters
title_fullStr Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters
title_full_unstemmed Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters
title_sort ultrasound-assisted synthesis and dft calculations of the novel 1d pb (ii) coordination polymer with thiosemicarbazone derivative ligand and its use for preparation of pbo clusters
publisher MDPI AG
series Crystals
issn 2073-4352
publishDate 2021-06-01
description In the present work, using a sonochemical method, a new lead (II) coordination 1D polymer, [Pb(L)<sub>2</sub>(CH<sub>3</sub>COO)]<sub>n</sub> (L = pyridine-4-carbaldehyde thiosemicarbazone) (<b>1</b>) was prepared. It was characterized structurally with different spectroscopic methods, such as SEM, IR spectroscopy, XRD, and elemental analysis. The coordination compound becomes a stair-step one-dimensional polymer in solid mode. The lead (II) ions have the coordination number of six (PbNS<sub>3</sub>O<sub>2</sub>) with two oxygen atoms from acetate anion and three sulfur atoms and one nitrogen atom from organic ligand. It contains a stereo-chemically active lone electron pair and the hemidirected coordination sphere. The high-intensity ultrasound is considered a flexible, environmentally friendly, and easy synthetic tool for the coordination compounds. PbO clusters was achieved with thermolyzing <b>1</b> at 180 ˚C with oleic acid (as a surfactant). Furthermore, the size and morphology of the created PbO clusters were assessed via SEM. The estimated gap of HOMO and LUMO is 3.275 eV based on DFT calculations.
topic coordination compound
crystal structure
X-ray crystallography
ultrasonic irradiation
Pb(II) complex
url https://www.mdpi.com/2073-4352/11/6/682
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