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A novel one-dimensional zigzag chain-like Co coordination polymer constructed from 4,4'-bi-pyridine (4,4'-bpy) and 2-hy-droxy-benzoate (2-OHbenz) ligands, namely, -poly[[(4,4'-bi-pyridine-κ)-(μ-2-hy-droxy-benzoato-κ :')(2-hy-droxy-benzoato-κ ,')cobalt(II)]-μ-4,4'-bi-pyridine-κ :'-[aquahemi(μ-4,4'-bi-pyridine-κ :')(2-hy-droxy-benzoato-κ(2-hy-droxy-benzoato-κ :')cobalt(II)], [Co(CHO)(CHN)(HO)] , has been synthesized by reacting cobalt(II) nitrate trihydrate, 4,4'-bpy and 2-hy-droxy-benzoic acid in a mixture of water and methanol at room temperature. There are two independent Co centers, Co1 and Co2, in the asymmetric unit, revealing a distorted octa-hedral geometry with chromophore types of [CoNO] and [CoNOO'], respectively. The Co1 ions are doubly bridged by 2-OHbenz ligands with - coordination mode, generating a dinuclear unit. The bridging 4,4'-bpy ligands connect these dinuclear units and the mononuclear Co2 chromophores, providing a one-dimensional alternating zigzag chain-like structure. In the crystal, inter-molecular hydrogen bonds, C-H⋯π and π-π stacking inter-actions are observed and these help to consolidate the packing. In addition, the physical properties of the title compound are reported.
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http://dx.doi.org/10.1107/S2056989020009482 | DOI Listing |
ACS Omega
October 2024
National Synchrotron Radiation Research Center, 30076 Hsinchu, Taiwan.
Three supramolecular architectures, [Cu(dpds)(CO)(HO)]·3HO (), [Cu(dpds)(CO)]·3HO (), and [Cu(dpds)(CO)]·9HO·CHOH () (dpds = 4,4'-dipyridyldisulfide and CO (croconate) = dianion of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione), have been synthesized and structurally characterized. Compound contains two crystallographically independent Cu(II) ions, which are both distorted octahedral geometry with elongation along the croconate- and HO-bound axial positions and bonded with two N atoms of two dpds, two O atoms of one CO , and two HO molecules. Two crystallographically independent dpds ligands, both adopting the bis-monodentate bridging mode, connect two Cu(II) ions to form a one-dimensional zigzag chain-like coordination polymer.
View Article and Find Full Text PDFLangmuir
September 2024
National Center for International Joint Research of Electronic Materials and Systems, International Joint-Laboratory of Electronic Materials and Systems of Henan Province, College of Electrical and Information Engineering, Zhengzhou University, Zhengzhou, Henan 450001, P. R. China.
Hexagonal boron nitride (h-BN) has attracted significant attention due to its exceptional properties. Among various substrates used for h-BN growth, diamond emerges as a more promising substrate due to its high-temperature resistance and superior electrical properties. To reveal the nucleation mechanism of h-BN on the diamond (111) surface and the impact of hydrogenation treatment on this process, we explored the adsorption, diffusion, nucleation morphologies, and predicted nucleation pathways in this process using first-principles calculations based on density functional theory (DFT).
View Article and Find Full Text PDFPhys Chem Chem Phys
May 2023
Key Laboratory of Cluster Science of Ministry of Education, Beijing Key laboratory of Photoelectronic/Electro-photonic Conversion Materials, Key Laboratory of Medicinal Molecule Science and Pharmaceutics Engineering of Ministry of Industry and Information Technology, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China.
Due to the hierarchical nature of the self-assembly process, it is effective to control assembled nanostructures by tuning the spatial configurations of the building blocks through -/-isomerization. A pair of AIE stereoisomers termed ()-/()-TPE-UPy was reported with different self-assembly mechanisms, morphologies and luminescence properties. In this study, we present a multiscale modeling combining MD simulations, hybrid QM/MM calculations and the PCM model, to systematically clarify the molecular configuration-molecular assembly-photophysical property relationship of ()-/()-TPE-UPy.
View Article and Find Full Text PDFMolecules
March 2023
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China.
Unveiling the structural evolution of single-crystalline compounds based on certain building units may help greatly in guiding the design of complex structures. Herein, a series of praseodymium antimony oxohalide crystals have been isolated under solvothermal conditions via adjusting the solvents used, that is, [HN(CHCH)][Fe(2,2'-bpy)][PrSbOCl]·EtOH () (2,2'-bpy = 2,2'-bipyridine), [HN(CHCH)][Fe(2,2'-bpy)][PrSbOCl)Cl]·N(CHCH)·2HO (), and (HO)[PrSbOCl(TEOA)]·2.5EtOH () (TEOA = mono-deprotonated triethanolamine anion).
View Article and Find Full Text PDFTwo ligand ratio-dependent supramolecular networks, [Cd(2,2'-bpym)(BDC)]·0.5(2,2'-bpym)·5HO () and [Cd(2,2'-bpym)(BDC)(HO)] (), (BDC = dianion of terephthalic acid and 2,2'-bpym = 2,2'-bipyrimidine) have been synthesized and structurally characterized by the single-crystal X-ray diffraction method. Structural determination reveals that compound is a two-dimensional (2D) layered metal-organic framework (MOF) constructed the bridges of Cd(II) ions with 2,2'-bpym and BDC ligands, and compound is a zero-dimensional (0D) 2,2'-bpym-bridged di-Cd(II) monomeric complex.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!