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All Journal Bulletin of Chemical Reaction Engineering & Catalysis Bulletin of Chemical Reaction Engineering & Catalysis
Li-Hua Wang
College of Biology and Oceanography, Weifang University, Weifang 261061
Chemical Engineering, Chemistry & Bioengineering Chemistry

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Synthesis, Structural Characterization，DFT，Hirschfeld Surface and Catalytic Activity of a New Zn (II) Complex of 4-Acetylbenzoic Acid Li-Hua Wang; Hao-Wen Tai
Bulletin of Chemical Reaction Engineering & Catalysis 2023: BCREC Volume 18 Issue 2 Year 2023 (July 2023, Issue in Progress)
Publisher : Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.9767/bcrec.17747

Abstract

A new Zn(II) complex of 4-acetylbenzoic acid, namely  [ZnL2(H2O)2] (1) (HL = 4-acetylbenzoic acid) has been synthesized in water-ethanol (v:v = 1:2) solution using zinc acetate dihydrate, 4-acetylbenzoic acid, and NaOH as reactants. The structure of complex (1) has been characterized by IR and X-ray single-crystal diffraction. X-ray diffraction analysis of complex (1) reveals that the Zn(II) ion is six-coordinated in a distorted octahedral coordination geometry with four carboxylic O atoms from two different bidentate 4-acetylbenzoic acid ligands (O1, O2, O1a, O2a) and two O atoms from two coordinated water molecules (O4 and O4a). Complex (1) forms 1D chained structure by the intermolecular and intramolecular O-H···O hydrogen bonds, and further forms a three-dimensional network structure by the π-π interaction of benzene rings and intermolecular O-H···O hydrogen bonds. The singlet ground-state geometry of the complex (1) were optimized using the PBE0 functional. The intermolecular interactions of complex (1) were quantitatively analysed by 3D Hirschfeld surface analysis and associated 2D fingerprint plots. The catalytic activity of complex (1) has been tested for the oxidation of benzyl alcohol under O2 atmosphere. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). 
Synthesis, Structural Characterization，DFT，Hirschfeld Surface and Catalytic Activity of a New Zn (II) Complex of 4-Acetylbenzoic Acid Li-Hua Wang; Hao-Wen Tai
Bulletin of Chemical Reaction Engineering & Catalysis 2023: BCREC Volume 18 Issue 2 Year 2023 (August 2023)
Publisher : Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.9767/bcrec.17747

Abstract

A new Zn(II) complex of 4-acetylbenzoic acid, namely  [ZnL2(H2O)2] (1) (HL = 4-acetylbenzoic acid) has been synthesized in water-ethanol (v:v = 1:2) solution using zinc acetate dihydrate, 4-acetylbenzoic acid, and NaOH as reactants. The structure of complex (1) has been characterized by IR and X-ray single-crystal diffraction. X-ray diffraction analysis of complex (1) reveals that the Zn(II) ion is six-coordinated in a distorted octahedral coordination geometry with four carboxylic O atoms from two different bidentate 4-acetylbenzoic acid ligands (O1, O2, O1a, O2a) and two O atoms from two coordinated water molecules (O4 and O4a). Complex (1) forms 1D chained structure by the intermolecular and intramolecular O-H···O hydrogen bonds, and further forms a three-dimensional network structure by the π-π interaction of benzene rings and intermolecular O-H···O hydrogen bonds. The singlet ground-state geometry of the complex (1) were optimized using the PBE0 functional. The intermolecular interactions of complex (1) were quantitatively analysed by 3D Hirschfeld surface analysis and associated 2D fingerprint plots. The catalytic activity of complex (1) has been tested for the oxidation of benzyl alcohol under O2 atmosphere. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). 
Synthesis, Structural Characterization and Photocatalytic CO2 Reduction Activity of a New Gd(III) Coordination Polymer with 6-Phenylpyridine-2-carboxylic acid and 4,4’-Bipyridine Ligands Xi-Shi Tai; Yuan-Fang Wang; Li-Hua Wang; Xi-Hai Yan
Bulletin of Chemical Reaction Engineering & Catalysis 2023: BCREC Volume 18 Issue 3 Year 2023 (October 2023)
Publisher : Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.9767/bcrec.19540

Abstract

A new Gd(III) coordination polymer, {[Gd(L1)3(H2O)2]∙L2}n (1) (HL1 = 6-phenylpyridine-2-carboxylic acid, L2 = 4,4’-bipyridine) was synthesized using 6-phenylpyridine-2-carboxylic acid, 4,4’-bipyridine, NaOH and GdCl3∙6H2O. The structure of Gd(III) coordination polymer has been characterized by IR and X-ray single crystal diffraction. The result of single crystal analysis indicates that fundamental unit of Gd(III) coordination polymer contains one Gd(III) ion, three L1 ligands, two coordinated water molecules and one uncoordinated 4,4’-bipyridine. In 1, the Gd(III)  ion is eight-coordinated and surrounded by six O atoms from three L1 ligands and two O atoms from two coordinated water molecules, respectively. The complex 1 exhibits 1D chained structure by the bridging interactions of  two carboxyl-oxygen atoms and O−H∙∙∙N hydrogen bonds interactions. The 1D chains are further connected by - stacking interactions to form 3D network architecture. The photocatalytic CO2 reduction activity of complex 1 has also been investigated. The complex 1 exhibits good CO2 reduction activity. With the increase of time, the yield of CO from 18.2 mmol/g in the first hour to 60.3 mmol/g in the third hour. And the CO selectivity has reached 100%. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA   License (https://creativecommons.org/licenses/by-sa/4.0). 
Co-Authors Hao-Wen Tai Xi-Hai Yan Xi-Shi Tai Yuan-Fang Wang