A B←N framework based on 1D dative B←N polymers for exclusive recognition and separation of benzene from its azeotrope

IF 19.1 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Chem Pub Date : 2023-12-14 DOI:10.1016/j.chempr.2023.07.016
Chun-Hua Liu , Liangji Chen , Hao Zhang , Yunbin Li , Hongyu Lin , Lu Li , Junjie Wu , Chulong Liu , Zi-Ming Ye , Shengchang Xiang , Banglin Chen , Zhangjing Zhang
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Abstract

Separating benzene from its cyclohexane and cyclohexene mixtures is a challenge in the petrochemical industry. Herein, we developed a B←N framework (BNF) approach, for the first time, to realize a BNF-2 for highly selective recognition and separation of benzene. Although the primary moieties of BNF-2 are one-dimensional (ID) B←N polymers, in the presence of benzene, such chains can be self-assembled into a two-dimensional (2D) framework of open structure to encapsulate benzene molecules; therefore, BNF-2 can be readily utilized for separating benzene from its liquid binary C6H6/C6H12 (1:1) and C6H6/C6H10 (1:1) and ternary C6H6/C6H10/C6H12 (2:1:1) mixtures to obtain benzene with purity of 99.2%, 97.8%, and 97.2%, respectively. Importantly, the included benzene molecules can be released simply by gentle heating to produce benzene of almost 100% purity, whereas the resulting closed framework material can be straightforwardly recovered and reused through simple recrystallization. Molecular modeling demonstrated the suitable pores in BNF-2 with matchable steric electrostatic potential (ESP) toward C6H6.

Abstract Image

基于一维共轭B←N聚合物的B←N框架,用于苯与共沸物的单独识别和分离
从环己烷和环己烯混合物中分离苯是石化工业中的一个挑战。在此,我们开发了B←N框架(BNF)方法,首次实现了BNF-2对苯的高选择性识别和分离。虽然BNF-2的初级部分是一维(ID) B←N聚合物,但在苯存在的情况下,这种链可以自组装成一个开放的二维(2D)框架,以封装苯分子;因此,BNF-2可以很容易地从液态二元C6H6/C6H12(1:1)、C6H6/C6H10(1:1)和三元C6H6/C6H10/C6H12(2:1:1)混合物中分离苯,得到纯度分别为99.2%、97.8%和97.2%的苯。重要的是,所含的苯分子可以简单地通过温和加热释放,产生几乎100%纯度的苯,而所得到的封闭框架材料可以通过简单的再结晶直接回收和再利用。分子模拟表明,BNF-2具有与C6H6相匹配的空间静电电位(ESP)。
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来源期刊
Chem
Chem Environmental Science-Environmental Chemistry
CiteScore
32.40
自引率
1.30%
发文量
281
期刊介绍: Chem, affiliated with Cell as its sister journal, serves as a platform for groundbreaking research and illustrates how fundamental inquiries in chemistry and its related fields can contribute to addressing future global challenges. It was established in 2016, and is currently edited by Robert Eagling.
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