Journal of Structural Chemistry最新文献_第10页

Retraction Note to: TWO Cu(II)-BASED COORDINATION POLYMERS: REDUCTION ACTIVITY ON SERUM PROCALCITONIN PRODUCTION AND PROTECTIVE EFFECT ON CHILDREN SEPSIS 撤稿说明：两种铜(II)基聚合聚合物：降低血清降钙素原生成的活性及对儿童败血症的保护作用

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050305

Y. -Q. Liu, F. -Z. Liu, Y. -J. Liu, J. Zhang, Q. -X. Xiong

引用次数: 0

Retraction Note to: ZERO/ONE-DIMENSIONAL COORDINATION COMPLEXES BASED ON CARBOXYLATE AND MULTINITROGEN DONOR LIGANDS: STRUCTURAL DIVERSITY AND PHOTOCATALYTIC DEGRADATION OF ORGANIC DYE 撤稿说明：基于羧酸盐和多氮供体配体的零/一维配位配合物：结构多样性与有机染料的光催化降解

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050184

J. Song, J. Li, J. -T. Li

引用次数: 0

Fluorite-Like Phases Based on Barium and Rare-Earth Fluorides 基于钡和稀土氟化物的类萤石相

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S002247662405010X

P. P. Fedorov, S. V. Volkov, Y. A. Vaitieva, A. A. Aleksandrov, S. V. Kuznetsov, V. A. Konyushkin

引用次数: 0

Synthesis, Crystal Structure, Photophysical Properties, and Antibacterial Activities of the Copper(II) Complex Derived from 4-Chloro-2-{[(2,6-Dimethylphenyl)Imino]Methyl}Phenol 由 4-氯-2-{[(2,6-二甲基苯基)氨基]甲基}苯酚衍生的铜(II)配合物的合成、晶体结构、光物理性质和抗菌活性

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050020

Y.-N. Guo, X.-B. Hu, H.-G. Zhang, Y.-F. Han, H. Wang

{"title":"Synthesis, Crystal Structure, Photophysical Properties, and Antibacterial Activities of the Copper(II) Complex Derived from 4-Chloro-2-{[(2,6-Dimethylphenyl)Imino]Methyl}Phenol","authors":"Y.-N. Guo, X.-B. Hu, H.-G. Zhang, Y.-F. Han, H. Wang","doi":"10.1134/S0022476624050020","DOIUrl":"10.1134/S0022476624050020","url":null,"abstract":"A new asymmetrical Schiff base ligand, (E)-4-chloro-2-{[(2,6-dimethylphenyl)amino] methyl}phenol (HL), and its mononuclear Cu(II) complex are synthesized. The molecular structures and spectroscopic properties of the ligand and its complex are experimentally characterized by single crystal X-ray diffraction, elemental analysis, FTIR, NMR and UV-Vis spectroscopic techniques. The analysis confirms that the Cu atom is generally four-coordinated in the complex by one imino N and one phenolic O atoms of the Schiff-base ligand, adopting a trans-configuration of N2O2 donor atoms around the metal ion, forming a square planar geometry. The density functional calculation is carried out for both HL and the copper(II) complex to investigate changes in the structural parameters and HOMO and LUMO energies. The results demonstrate that the HOMO and the LUMO are effectively separated by the benzene ring of 2,6-dimethylbenzenamine as a donor unit and the benzene ring of 5-chlorosalicylaldehyde as an acceptor unit. The effective HOMO–LUMO separation helps to induce intramolecular charge transfer from the HOMO to the LUMO. The HOMO–LUMO energy gap becomes smaller when the Schiff base ligand is coordinated with the Cu(II) ion, which is most likely to be due to the interaction of copper(II) d orbitals with the HOMO and/or LUMO of the ligand. These theoretical calculations support the experimentally observed results. The biological assay reveals that both the Schiff base and the complex have different antimicrobial activities. The complex has the MIC value of 0.0781 mmol/L against Escherichia coli.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 5","pages":"868 - 881"},"PeriodicalIF":1.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141510595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Retraction Note to: TWO Co(II)-BASED COORDINATION POLYMERS: STRUCTURAL DIVERSITY AND PREVENTION ACTIVITY ON SKIN NECROSIS AFTER FRACTURE AND INTERNAL FIXATION 撤稿说明：两种基于Co(II)的配位聚合物：结构多样性及对断裂和内固定后皮肤坏死的预防作用

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050287

W. -J. Wang, X. -G. Wang, B. -B. Hou

引用次数: 0

Retraction Note to: TWO MIXED-LIGAND Cu(II)-BASED COORDINATION POLYMERS: CRYSTAL STRUCTURES AND TREATMENT ACTIVITY ON CHILD ACUTE PANCREATITIS WITH PERITONITIS BY INHIBITING THE BACTERIAL SURVIVAL 撤稿说明：两种混合锂基铜(II)配位聚合物：晶体结构和通过抑制细菌存活治疗小儿急性肾盂肾炎并发胸膜炎的活性

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050202

X. Cao, J. Liu, Y. Sun, J. Chen, M. Gao, X. Lei

引用次数: 0

Retraction Note to: METAL ION-DIRECTED SYNTHESIS OF TWO MIXED-LIGAND COORDINATION POLYMERS: PROTECTIVE ACTIVITY ON THE ACUTE KIDNEY INJURY BY REDUCING THE NAGL CONTENT IN URINE 撤稿说明：金属离子定向合成两种混合配体配位聚合物：通过降低尿液中 nagl 含量对急性肾损伤具有保护活性

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050299

L. Li, H. -Y. Xie, J. Cao, W. -Y. Li, X. -Z. Shao

引用次数: 0

Synthesis, Crystal Structure, Weak Interactions, and Optical Properties of an Organic Charge-Transfer Benzyl 2-Aminopyridinium Picrate Compound 一种有机电荷转移苄基 2-氨基吡啶苦味酸盐化合物的合成、晶体结构、弱相互作用和光学特性

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050032

Y. Zheng, Y.-L. Xu, C.-L. Ni

{"title":"Synthesis, Crystal Structure, Weak Interactions, and Optical Properties of an Organic Charge-Transfer Benzyl 2-Aminopyridinium Picrate Compound","authors":"Y. Zheng, Y.-L. Xu, C.-L. Ni","doi":"10.1134/S0022476624050032","DOIUrl":"10.1134/S0022476624050032","url":null,"abstract":"In this work, a new organic charge-transfer compound, namely 1-benzyl 2-aminopyridinium picrate [Bz-2-NH2Py][PIC] (1), is prepared and characterized by single crystal X-ray diffraction (SC-XRD), powder X-ray diffraction (PXRD), FTIR, 1H NMR and Raman spectroscopy. The title compound crystallizes in the monoclinic system with space group P2(1)/c and contains one [Bz-2-NH2Py]+ cation and one [PIC]– anion. The cations are stacked into a columnar structure through C–H⋯π interactions, and the N–H⋯O and C–H⋯O hydrogen bonds between the anions and cations stabilize the crystal stacking of [Bz-2-NH2Py][PIC] (1). The frontier molecular orbitals HOMO and LUMO are computed by the DFT approach (using the B3LYP/6-31G (d,p) basis set) to understand the chemical reactivity and kinetic stability of the title compound. The geometrical parameters obtained from the XRD experiment are in good agreement with the simulated values from the single crystal structure. In addition, the organic material shows two main emission peaks at about 390 nm and 469 nm upon 241 nm excitation in the solid state at room temperature. The Hirshfeld surface analysis is performed to quantify the contributions of different intermolecular interactions.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 5","pages":"882 - 894"},"PeriodicalIF":1.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141526250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of a Garnet-Type Solid Electrolyte for the All-Solid-State Battery Application 为全固态电池应用合成石榴石型固体电解质

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050056

A. K. Mishra, N. Shaikh, Y. K. Patel, I. Mukhopadhyay

{"title":"Synthesis of a Garnet-Type Solid Electrolyte for the All-Solid-State Battery Application","authors":"A. K. Mishra, N. Shaikh, Y. K. Patel, I. Mukhopadhyay","doi":"10.1134/S0022476624050056","DOIUrl":"10.1134/S0022476624050056","url":null,"abstract":"The Ga-doped Li7La3Zr2O12 (LLZO) solid state electrolyte (SSE) is synthesized via the solid-state reaction. The structural study of the SSE is conducted with the help of X-ray diffraction and the Rietveld method. The SSE crystallizes in the Li6.25Ga0.15La2.90Zr2O12 phase with cubic space group number 220 and the unit cell parameter of 13.02081 Å, and the La2Zr2O7 impurity phase with cubic space group number 227 and the unit cell parameter of 10.79475 Å. The obtained lattice planes in the refinement are confirmed by TEM. The core of the Li ion migration channel is defined as the loop formed by Li32, Li1, Li2, and Li22 sites with the minimum Li⋯Li distance and occupational disorganization of Ga-doped LLZO SSE. The electron density plots of the Li6.25Ga0.15La2.90Zr2O12 phase show the maximum electron distribution inside the unit cell for lanthanum atoms. XPS confirms the presence of all the precursors, i.e., Li, La, Zr, Ga, and O in the synthesized compound. The elemental composition is confirmed by EDX. In the direct current charge-discharge behaviour of the Li symmetric cell, no voltage breakdown is observed even at 6 mA/cm2 current density and after 400 charge/discharge cycles for over 200 h.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 5","pages":"907 - 919"},"PeriodicalIF":1.2,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141526251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, Structrure, and Eletrochemical Properties of a Copper(II) Complex with 3-Phenylpropylmalonic Acid 与 3-苯基丙基丙二酸的铜（II）配合物的合成、结构和电化学性质

IF 1.2 4区化学

Journal of Structural Chemistry Pub Date : 2024-06-28 DOI: 10.1134/S0022476624050135

X. Ma, B. Wang, E. Gao

引用次数: 0