{"title":"Synthesis, Crystal Structure, and Theoretical Calculation of the Cu(II) Complex With 1,2-Benzisothiazolin-3-one","authors":"Xia Li, Guanhua Zhu, Lei Dong, Chunhua Ni, Xingchen Yan, Liangmin Yu","doi":"10.1080/15533174.2014.988236","DOIUrl":null,"url":null,"abstract":"A novel copper(II) complex [Cu2(BIT)4(DMF)2]•2DMF (BIT = 1,2-benzisothiazolin-3-one, DMF = N,N-dimethylformamide) was synthesized via standing diffusion method. The structure of crystal was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The complex crystallizes in monoclinic C2/c space group and a = 30.850 (3) Å, b = 8.5534 (8) Å, c = 21.6491 (18) Å, β= 128.487 (2)°, V = 4.4716 (7) nm3, Z = 4. The fluorescent properties of the complex was studied. Theoretical study of the complex was carried out by density functional theory B3LYP method using Gaussian 03 program. CCDC: 911350.","PeriodicalId":22118,"journal":{"name":"Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2016-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"8","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/15533174.2014.988236","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 8
Abstract
A novel copper(II) complex [Cu2(BIT)4(DMF)2]•2DMF (BIT = 1,2-benzisothiazolin-3-one, DMF = N,N-dimethylformamide) was synthesized via standing diffusion method. The structure of crystal was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The complex crystallizes in monoclinic C2/c space group and a = 30.850 (3) Å, b = 8.5534 (8) Å, c = 21.6491 (18) Å, β= 128.487 (2)°, V = 4.4716 (7) nm3, Z = 4. The fluorescent properties of the complex was studied. Theoretical study of the complex was carried out by density functional theory B3LYP method using Gaussian 03 program. CCDC: 911350.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
