4054-67-5Relevant academic research and scientific papers
Cooperative association of pyrazoles and phenols: A versatile binary system
Boldog, Ishtvan,Rusanov, Eduard B.,Sieler, Joachim,Domasevitch, Konstantin V.
, p. 756 - 759 (2004)
The ability of self-complementary H-bond donor/acceptor phenol (OH/O) and pyrazole (NH/N) molecules for cooperative association allowed the developing of a range of binary compounds, in which the molecular counterparts are integrated by hydrogen bonding. Complexes involving either monofunctional 3,5-dimethylpyrazole and phenol and polyfunctional 3,3′,5,5′- tetramethyl-4,4′-bipyrazole, hydroquinone and phloroglucinol are based on mixed phenol-pyrazole chains. They reveal common features allowing high level of control over the entire connectivity and dimensionality. Unprecedented NH...π pyrazole hydrogen bonding was essential for the structure of the resorcinol complex.
Tetranuclear copper(n) complexes incorporating short and long metal-metal separations: Synthesis, structure and magnetism 1
Kruger, Paul E.,Moubaraki, Boujemaa,Fallen, Gary D.,Murray, Keith S.
, p. 713 - 718 (2000)
Synthesis, structural and magnetic characterization of tetranuclear [(Cu2L2B] complexes [where H3L is the Schiffs-base ligand, l,3-bis(salicylideneamino)propan-2-of; B is the dipyrazolate entities: methylenebis(3,5-dimethylpyrazolate) (mbdpz) or 4,4′-bi-3,5-dimethylpyrazolate (mdpz)] are reported. The structures reveal short intra- and inter-molecular Cu ... Cu separations (ca. 3.4 A), in combination with long intramolecular copper distances (ca. 10 A). The magnetic behaviour of [(Cu2L)2(mbdpz)] (1) is indicative of an intramolecular antiferromagnetic interaction between the copper(n) centres [2J = -460 cm-1], whilst that of [(Cu2L)2(mdpz)] (2) is characteristic of an antiferromagnetically coupled system with intramolecular coupling in the order of 2J= -380 cm-1, with the presence of a further intermolecular interaction indicated. The Royal Society of Chemistry 2000.
Anion-Tuned Synthesis of Ag Coordination Compounds: Approaches for Optimizing Second-Harmonic-Generation (SHG) Response
Chen, Jing,Hu, Ting,Lu, Can-Zhong,Meng, Lingyi,Wei, Shanyue,Xie, Yiming,Yang, Mingxue,Zuo, Tao
, p. 803 - 812 (2022/01/03)
With the rapid development of information technology, the demand for optoelectronic functional materials is increasing. Nonlinear optical materials are needed as basic materials in the optoelectronic industry, such as optical switches, optical communication, optical information processing, optical computers, laser technology, and so on. Therefore, nonlinear optical materials have received extensive attention in recent decades, but for nonlinear optical materials, the difficulty in their synthesis is the synthesis of noncentrosymmetric crystal structures. In this paper, three new compounds, namely Ag2(H2bpz)2.5(PF6)(OH)·H2O (1), Ag2(H2bpz)2.5(SbF6)(OH)·H2O (2), and Ag(H2bpz)(NO3)·H2O (3), have been synthesized and characterized by X-ray single-crystal diffractometry; compounds 1 and 2 crystallize in a noncentrosymmetric space group. It is worth noting that the characterization results show that, through a simple hydrothermal reaction, we have successfully verified the feasibility of the theory of synthesizing noncentrosymmetric structures. In addition, compounds 1 and 2 synthesized by our simple method show second-harmonic generation, and it is phase-matchable.
Design and Solvothermal Synthesis of Polyoxometalate-Based Cu(II)-Pyrazolate Photocatalytic Compounds for Solar-Light-Driven Hydrogen Evolution
Liao, Mingyue,Wang, Tianming,Zuo, Tao,Meng, Lingyi,Yang, Mingxue,Chen, Yan-Xin,Hu, Ting,Xie, Yiming
supporting information, p. 13136 - 13149 (2021/09/03)
Polyoxometalates (POMs) are known for their photocatalytic hydrogen production activity, but their solubility and limited stability often restrict their practical applications. Herein, we designed and solvothermally synthesized two new Cu-H2bpz (3,3′,5,5′-tetramethyl-4,4′-bipyrazole, abbreviated as H2bpz) compounds, namely, Cu0.5(H2bpz)(NO3) (1) and Cu(Hbpz)(Cl)DMF (2), and three new polyoxometalate-based Cu(II)-pyrazolate compounds, namely, Cu(PW12O40)0.5(H2bpz)2(H2O)(OH)0.5(H2O)5.5 (3), Cu(HPMo12O40)(H2bpz)2(H2O)2(H2O)4 (4), and Cu2(SiW12O40)(H2bpz)3(H2O)3(H2O)6 (5). Compound 3 (Cu(PW12O40)0.5(H2bpz)2(H2O)(OH)0.5(H2O)5.5) exhibits the best photocatalytic activity of 44.4 μ L h-1 g-1, which may be related to the stability of compounds. Herein, the solvothermal method has been proven to be an effective method in synthesizing stable organic-inorganic hybrid compounds with soluble POMs, metal ions, and organic ligands. Thus, heterogeneous catalysts with outstanding solar-light-driven photocatalytic properties were obtained.
Pyrazole-Mediated C-H Functionalization of Arene and Heteroarenes for Aryl-(Hetero)aryl Cross-Coupling Reactions
Kundu, Abhishek,Dey, Dhananjay,Pal, Subhankar,Adhikari, Debashis
, p. 15665 - 15673 (2021/11/16)
Herein we introduce a transition-metal-free protocol that involves a commercially available, inexpensive pyrazole molecule to conduct C-C cross-coupling reactions at room temperature via a radical pathway. Using this method, an aryldiazonium salt has been coupled to a wide range of arenes and heteroarenes including benzene, mesitylene, thiophene, furan, benzoxazole to result the corresponding biaryl products. The full reaction mechanism is elucidated along with the crystallographic probation of an active initiator species. A potassium-stabilized deprotonated pyrazole steers single-electron transfer to the substrate and behaves as an initiator for the reaction.
Controllable syntheses of metal-organic frameworks based on Strandberg-type [P2Mo5O23] cluster
He, Senyuan,Liao, Mingyue,Wang, Yan,Wu, Tao,Xie, Yiming
, (2021/08/30)
Polyoxometalates (POMs) ions are ideal building blocks to construct cluster-based MOFs with excellent catalytic properties. However, the syntheses of POM-based MOFs with the employment of azolate ligands is quite challenging because of the incompatibility of the formation of POMs and metal-azolate. In this work, by finely tune pH value of the reaction system, one POM-based MOFs has been successfully obtained.
Metal-Anion Coordination and Linker-Anion Hydrogen Bonding in the Construction of Metal-Organic Frameworks from Bipyrazole
Zhang, Erpan,Jia, Qizhang,Zhang, Jun,Ji, Zhenguo
supporting information, p. 191 - 195 (2016/02/27)
Two new two-dimensional frameworks based on packing of square grids, Cu(Me4bpz)2(NO3)2 (1) and Zn(Me4bpz)(SO4) (2) (Me4bpz=3,3′,5,5′-tetramethyl-4,4′-bipyrazole), have been synthesized by mild solvothermal method. In addition to the major metal-organic linker coordination, they allow us to study how the metal-inorganic anion coordination and organic linker-inorganic anion hydrogen bonding affect the resulting structures during the framework assembly. Two new MOFs based on bipyrazole were synthesized, and they provide examples of metal-anion coordination and linker-anion hydrogen bonding during the framework assembly.
Modular construction of 3D coordination frameworks incorporating SiF 62- links: Accessing the significance of [M(pyrazole) 4{SiF6}] synthon
Ponomarova, Vira V.,Komarchuk, Vasiliy V.,Boldog, Ishtvan,Krautscheid, Harald,Domasevitch, Konstantin V.
, p. 8280 - 8287 (2013/10/22)
Rational combination of Cd2+ cations, bitopic pyrazole ligands, bridging SiF62- and terminal NCS- anions provide generation of 3D frameworks and precise control over connectedness of the net nodes: two-fold interpenetrated 4-connected NbO-like net (nbo) in [Cd(Me4bpz)2{NCS}2]·CH 2Cl2 (1), uninodal 5-connected noz framework in [Cd 2(Me4bpz)4{SiF6}{NCS} 2]·6CHCl3 (2), novel 5-connected binodal topology (with a point symbol of {42.55.62.7}{4 2.56.62}) in [Cd2(Me 4bpz)4{SiF6}{NCS}2]·2CH 2Cl2 (3) and 6-connected α-Po cubic nets (pcu) in [Cd(Me4bpz)2{SiF6}]·6H2O (4) and [Cd(Me4bpz)2{SiF6}]·1.5CH 2Cl2 (5) (Me4bpz = 3,3′,5,5′- tetramethyl-4,4′-bipyrazole). Hexafluorosilicate anions act as bridges between Cd ions yielding further linkage of 4-connected [Cd(Me 4bpz)2] subtopologies. Characteristic and specific interaction between SiF62- and the metal-organic portion is conditioned by a synergy of coordination and multiple strong NH...F bonds, which suggests perfect compatibility of the bipyrazole and SiF 62- linkers for the construction of 3D structures, either by pillaring of 2D layers or cross-linking of 3D frameworks. Two observed motifs, 1D [M(pyrazole)4{μ-SiF6}]n (in 4 and 5) and discrete [{M{NCS}(pyrazole)4}2{μ-SiF 6}] (in 2 and 3) are discussed as special supramolecular synthons for the framework solids. An improved large-scale and cost-effective procedure for the synthesis of the organic ligand Me4bpz is also described.
