{"title":"利用过乙基支柱[5]炔的无孔自适应晶体完美分离正戊烷和异戊烷","authors":"Jingyu Chen, Xinkai Liang, Chunlong Pan, Minghao Liang, Wenzhi Yang, Sha Wu, Haoze Zhu, Jiong Zhou","doi":"10.1021/acs.cgd.4c00977","DOIUrl":null,"url":null,"abstract":"The separation of <i>n</i>-pentane (<b><i>n</i>-PT</b>) and <i>iso</i>-pentane (<b><i>iso</i>-PT</b>) mixtures represents a significant challenge in the petrochemical industry. In this study, we propose an innovative, efficient, and energy-saving method for the adsorptive separation of <b><i>n</i>-PT</b> and <b><i>iso</i>-PT</b> mixtures using nonporous adaptive crystals (NACs) based on perethylated pillar[5]arene (<b>EtP5</b>), achieving 100% purity. The single crystal structure suggests that the high selectivity is due to multiple noncovalent interactions between <b>EtP5</b> and <b><i>n</i>-PT</b> as well as the formation of newly stable crystals of <b><i>n</i>-PT</b>@<b>EtP5</b>. Density functional theory demonstrates that the host–guest interaction of <b><i>n</i>-PT</b>@<b>EtP5</b> is mainly concentrated in the cavity center of <b>EtP5</b>, and the aromatic area of <b>EtP5</b> contributes the most. Additionally, NACs of <b>EtP5</b> exhibit recyclability due to the reversible transformation between the guest-free and guest-loaded structures.","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":null,"pages":null},"PeriodicalIF":3.2000,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Perfect Separation of n-Pentane and Iso-pentane by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene\",\"authors\":\"Jingyu Chen, Xinkai Liang, Chunlong Pan, Minghao Liang, Wenzhi Yang, Sha Wu, Haoze Zhu, Jiong Zhou\",\"doi\":\"10.1021/acs.cgd.4c00977\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The separation of <i>n</i>-pentane (<b><i>n</i>-PT</b>) and <i>iso</i>-pentane (<b><i>iso</i>-PT</b>) mixtures represents a significant challenge in the petrochemical industry. In this study, we propose an innovative, efficient, and energy-saving method for the adsorptive separation of <b><i>n</i>-PT</b> and <b><i>iso</i>-PT</b> mixtures using nonporous adaptive crystals (NACs) based on perethylated pillar[5]arene (<b>EtP5</b>), achieving 100% purity. The single crystal structure suggests that the high selectivity is due to multiple noncovalent interactions between <b>EtP5</b> and <b><i>n</i>-PT</b> as well as the formation of newly stable crystals of <b><i>n</i>-PT</b>@<b>EtP5</b>. Density functional theory demonstrates that the host–guest interaction of <b><i>n</i>-PT</b>@<b>EtP5</b> is mainly concentrated in the cavity center of <b>EtP5</b>, and the aromatic area of <b>EtP5</b> contributes the most. Additionally, NACs of <b>EtP5</b> exhibit recyclability due to the reversible transformation between the guest-free and guest-loaded structures.\",\"PeriodicalId\":34,\"journal\":{\"name\":\"Crystal Growth & Design\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-09-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystal Growth & Design\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.cgd.4c00977\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystal Growth & Design","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.cgd.4c00977","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Perfect Separation of n-Pentane and Iso-pentane by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene
The separation of n-pentane (n-PT) and iso-pentane (iso-PT) mixtures represents a significant challenge in the petrochemical industry. In this study, we propose an innovative, efficient, and energy-saving method for the adsorptive separation of n-PT and iso-PT mixtures using nonporous adaptive crystals (NACs) based on perethylated pillar[5]arene (EtP5), achieving 100% purity. The single crystal structure suggests that the high selectivity is due to multiple noncovalent interactions between EtP5 and n-PT as well as the formation of newly stable crystals of n-PT@EtP5. Density functional theory demonstrates that the host–guest interaction of n-PT@EtP5 is mainly concentrated in the cavity center of EtP5, and the aromatic area of EtP5 contributes the most. Additionally, NACs of EtP5 exhibit recyclability due to the reversible transformation between the guest-free and guest-loaded structures.
期刊介绍：
The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials.
Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.
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