Sibo Chetry, Prantik Sarkar, Volodymyr Bon, Muhammad Fernadi Lukman, Andreas Pöppl, Michael Hirscher, Stefan Kaskel, Harald Krautscheid
{"title":"[Cu2(trz-ia)2]─超微孔Cu2桨轮三唑基间苯二甲酸酯MOF：吸附二氢和同位素分离性能的比较研究","authors":"Sibo Chetry, Prantik Sarkar, Volodymyr Bon, Muhammad Fernadi Lukman, Andreas Pöppl, Michael Hirscher, Stefan Kaskel, Harald Krautscheid","doi":"10.1021/acs.inorgchem.4c05225","DOIUrl":null,"url":null,"abstract":"A Cu<sub>2</sub> paddle wheel-based metal–organic framework, [Cu<sub>2</sub>(trz-ia)<sub>2</sub>] (trz-ia<sup>2–</sup> = 5-(4<i>H</i>-1,2,4-triazol-4-yl) isophthalate), is investigated for hydrogen adsorption and hydrogen isotopologue separation. Its ultramicroporous structure with pore diameters ranging from 0.35 to 0.53 nm allows for strong interactions with dihydrogen molecules, resulting in steep H<sub>2</sub> uptake and heat of adsorption <i>Q</i><sub>ads</sub> = 9.7 kJ mol<sup>–1</sup>. Notably, the hydrogen density inside the pores is 43.9 g L<sup>–1</sup> at 77 K and 100 kPa. Thermal desorption spectroscopy (TDS) after exposure to a H<sub>2</sub>/D<sub>2</sub> mixture indicates dihydrogen isotopologue separation with a selectivity of <i>S</i> = 6 at 30 K and a high uptake of D<sub>2</sub>. These findings are compared with numerous other metal–organic frameworks (MOFs) and related to their pore size.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"86 1","pages":""},"PeriodicalIF":4.7000,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"[Cu2(trz-ia)2]─An Ultramicroporous Cu2 Paddle Wheel Triazolyl Isophthalate MOF: A Comparative Study of Its Properties in Dihydrogen Adsorption and Isotopologue Separation\",\"authors\":\"Sibo Chetry, Prantik Sarkar, Volodymyr Bon, Muhammad Fernadi Lukman, Andreas Pöppl, Michael Hirscher, Stefan Kaskel, Harald Krautscheid\",\"doi\":\"10.1021/acs.inorgchem.4c05225\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A Cu<sub>2</sub> paddle wheel-based metal–organic framework, [Cu<sub>2</sub>(trz-ia)<sub>2</sub>] (trz-ia<sup>2–</sup> = 5-(4<i>H</i>-1,2,4-triazol-4-yl) isophthalate), is investigated for hydrogen adsorption and hydrogen isotopologue separation. Its ultramicroporous structure with pore diameters ranging from 0.35 to 0.53 nm allows for strong interactions with dihydrogen molecules, resulting in steep H<sub>2</sub> uptake and heat of adsorption <i>Q</i><sub>ads</sub> = 9.7 kJ mol<sup>–1</sup>. Notably, the hydrogen density inside the pores is 43.9 g L<sup>–1</sup> at 77 K and 100 kPa. Thermal desorption spectroscopy (TDS) after exposure to a H<sub>2</sub>/D<sub>2</sub> mixture indicates dihydrogen isotopologue separation with a selectivity of <i>S</i> = 6 at 30 K and a high uptake of D<sub>2</sub>. These findings are compared with numerous other metal–organic frameworks (MOFs) and related to their pore size.\",\"PeriodicalId\":40,\"journal\":{\"name\":\"Inorganic Chemistry\",\"volume\":\"86 1\",\"pages\":\"\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2025-03-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.inorgchem.4c05225\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.inorgchem.4c05225","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
[Cu2(trz-ia)2]─An Ultramicroporous Cu2 Paddle Wheel Triazolyl Isophthalate MOF: A Comparative Study of Its Properties in Dihydrogen Adsorption and Isotopologue Separation
A Cu2 paddle wheel-based metal–organic framework, [Cu2(trz-ia)2] (trz-ia2– = 5-(4H-1,2,4-triazol-4-yl) isophthalate), is investigated for hydrogen adsorption and hydrogen isotopologue separation. Its ultramicroporous structure with pore diameters ranging from 0.35 to 0.53 nm allows for strong interactions with dihydrogen molecules, resulting in steep H2 uptake and heat of adsorption Qads = 9.7 kJ mol–1. Notably, the hydrogen density inside the pores is 43.9 g L–1 at 77 K and 100 kPa. Thermal desorption spectroscopy (TDS) after exposure to a H2/D2 mixture indicates dihydrogen isotopologue separation with a selectivity of S = 6 at 30 K and a high uptake of D2. These findings are compared with numerous other metal–organic frameworks (MOFs) and related to their pore size.
期刊介绍：
Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.
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