Synthesis, structure and quantum chemistry study of the 4-Iodopyrazole copper complexes

IF 0.8 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

无机化学学报 Pub Date : 2013-01-01 DOI:10.3969/J.ISSN.1001-4861.2013.00.302

G. Song, Qiao Sun, Y. Hou, Ruicai Zhan, Dong-Ming Wei, Zhan Shi, Y. Xing

{"title":"Synthesis, structure and quantum chemistry study of the 4-Iodopyrazole copper complexes","authors":"G. Song, Qiao Sun, Y. Hou, Ruicai Zhan, Dong-Ming Wei, Zhan Shi, Y. Xing","doi":"10.3969/J.ISSN.1001-4861.2013.00.302","DOIUrl":null,"url":null,"abstract":"Two novel structural copper complexes: [Cu 3 (Ipz) 3 ] (1) and [Cu (SO 4 )(Ipz 4 )] · 2H 2 O · CH 3 OH (2) were synthesized by the hydrothermal reaction and the solution method, respectively. The complexes were characterized by elemental analysis, IR spectroscopy, UV spectrum and single crystal X-ray diffraction. Structural analyses have revealed that the complex 1 is crystallized in the orthorhombic system with Pnma space group. The complex 2 is crystallized in the Triclinic system with P1 space group. In the structure of the two complexes, the oxidation state of Cu atoms are +1 and +2, respectively, the coordinate environment of the metal and the coordinate model of the ligand are absolutely different. In the complex 1, copper is a two coordination atom, connected with ligand forming a nine-membered ring. However, the complex 2 is a six coordination atom, using coordinate sulfate group to form an infinite chain. Additionally, by using the quantum chemistry method electronic characteristic of the two complexes were performed, in the mean time, the luminescent spectrum of complex 1 was analyzed.","PeriodicalId":9986,"journal":{"name":"无机化学学报","volume":null,"pages":null},"PeriodicalIF":0.8000,"publicationDate":"2013-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"无机化学学报","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3969/J.ISSN.1001-4861.2013.00.302","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}

引用次数: 1

Abstract

Two novel structural copper complexes: [Cu 3 (Ipz) 3 ] (1) and [Cu (SO 4 )(Ipz 4 )] · 2H 2 O · CH 3 OH (2) were synthesized by the hydrothermal reaction and the solution method, respectively. The complexes were characterized by elemental analysis, IR spectroscopy, UV spectrum and single crystal X-ray diffraction. Structural analyses have revealed that the complex 1 is crystallized in the orthorhombic system with Pnma space group. The complex 2 is crystallized in the Triclinic system with P1 space group. In the structure of the two complexes, the oxidation state of Cu atoms are +1 and +2, respectively, the coordinate environment of the metal and the coordinate model of the ligand are absolutely different. In the complex 1, copper is a two coordination atom, connected with ligand forming a nine-membered ring. However, the complex 2 is a six coordination atom, using coordinate sulfate group to form an infinite chain. Additionally, by using the quantum chemistry method electronic characteristic of the two complexes were performed, in the mean time, the luminescent spectrum of complex 1 was analyzed.

查看原文本刊更多论文

4-碘吡唑铜配合物的合成、结构及量子化学研究

采用水热反应和溶液法分别合成了两种新型结构铜配合物[Cu 3 (Ipz) 3](1)和[Cu (so4)(Ipz 4)]·2h2o·ch3 OH(2)。通过元素分析、红外光谱、紫外光谱和单晶x射线衍射对配合物进行了表征。结构分析表明配合物1在具有Pnma空间群的正交体系中结晶。配合物2在具有P1空间群的三斜体系中结晶。在这两种配合物的结构中，Cu原子的氧化态分别为+1和+2，金属的配位环境和配体的配位模型是绝对不同的。在配合物1中，铜是一个双配位原子，与配体连接形成一个九元环。而配合物2是六配位原子，利用配位硫酸基形成无限链。此外，利用量子化学方法测定了两种配合物的电子特性，同时对配合物1的发光光谱进行了分析。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

无机化学学报化学-无机化学与核化学

CiteScore

1.40

自引率

42.90%

发文量

8709

审稿时长

2.2 months

期刊介绍： “Chinese Journal of Inorganic Chemistry” publishes fundamental studies in all phases of inorganic chemistry, including solid-state chemistry, coordination chemistry, inorganic materials chemistry, bioinorganic chemistry, organometallic chemistry, theoretical inorganic chemistry, supermolecule chemistry, applied inorganic chemistry and related field of catalysis. Emphasis is on the synthesis, thermodynamics, kinetics, spectroscopy, structure and bonding properties of new and known compounds. In addition to full-length research articles, “Chinese Journal of Inorganic Chemistry” also publishes notes, letters, and reviews. “Chinese Journal of Inorganic Chemistry” accepts manuscript written in simplified Chinese or English.

文献相关原料

公司名称	产品信息	采购帮参考价格