Xiu-Yuan Li, Ying-Bo Wang, Song Yan, Xiang Dan, Chaozheng He
{"title":"基于2-硝基咪唑的二维多孔Pb-MOF: CO 2吸附、电子结构和发光","authors":"Xiu-Yuan Li, Ying-Bo Wang, Song Yan, Xiang Dan, Chaozheng He","doi":"10.21203/RS.3.RS-258541/V1","DOIUrl":null,"url":null,"abstract":"\n A new porous metal-organic framework, [Pb5(Ac)7(nIm)3]n (1), has been successfully synthesized by employing 2-nitroimidazole ligand and Pb2+ ion. 1 contains novel the ribbon-shaped Pb-O SBU and reveals a 2D porous framework with a 1D tubular channel. Moreover, 1 shows moderate adsorption uptake towards CO2 and luminescence properties from intraligand charge transfer. We further confirmed nitro group and metal ion are important adsorption sites by GCMC simulations, and the electronic structures of 1 was investigated.","PeriodicalId":19542,"journal":{"name":"Organic Chemistry eJournal","volume":"47 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2021-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"A 2D Porous Pb-MOF Based on 2-Nitroimidazole: CO 2 Adsorption, Electronic Structure and Luminescence\",\"authors\":\"Xiu-Yuan Li, Ying-Bo Wang, Song Yan, Xiang Dan, Chaozheng He\",\"doi\":\"10.21203/RS.3.RS-258541/V1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n A new porous metal-organic framework, [Pb5(Ac)7(nIm)3]n (1), has been successfully synthesized by employing 2-nitroimidazole ligand and Pb2+ ion. 1 contains novel the ribbon-shaped Pb-O SBU and reveals a 2D porous framework with a 1D tubular channel. Moreover, 1 shows moderate adsorption uptake towards CO2 and luminescence properties from intraligand charge transfer. We further confirmed nitro group and metal ion are important adsorption sites by GCMC simulations, and the electronic structures of 1 was investigated.\",\"PeriodicalId\":19542,\"journal\":{\"name\":\"Organic Chemistry eJournal\",\"volume\":\"47 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-03-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Organic Chemistry eJournal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.21203/RS.3.RS-258541/V1\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Organic Chemistry eJournal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.21203/RS.3.RS-258541/V1","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
A 2D Porous Pb-MOF Based on 2-Nitroimidazole: CO 2 Adsorption, Electronic Structure and Luminescence
A new porous metal-organic framework, [Pb5(Ac)7(nIm)3]n (1), has been successfully synthesized by employing 2-nitroimidazole ligand and Pb2+ ion. 1 contains novel the ribbon-shaped Pb-O SBU and reveals a 2D porous framework with a 1D tubular channel. Moreover, 1 shows moderate adsorption uptake towards CO2 and luminescence properties from intraligand charge transfer. We further confirmed nitro group and metal ion are important adsorption sites by GCMC simulations, and the electronic structures of 1 was investigated.