2017
DOI: 10.1126/science.aam7232
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Controlling guest conformation for efficient purification of butadiene

Abstract: Conventional adsorbents preferentially adsorb the small, high-polarity, and unsaturated 1,3-butadiene molecule over the other C hydrocarbons from which it must be separated. We show from single-crystal x-ray diffraction and computational simulation that a hydrophilic metal-organic framework, [Zn(btm)], where Hbtm is bis(5-methyl-1-1,2,4-triazol-3-yl)methane, has quasi-discrete pores that can induce conformational changes in the flexible guest molecules, weakening 1,3-butadiene adsorption through a large bendin… Show more

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Cited by 613 publications
(316 citation statements)
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References 32 publications
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“…[11,12] Am atch betweenp ore size and guest molecule was also well realized by Chen and Zhang groups and thus it was used to carry out selective adsorption and industrial separation. [13,14] Pores anchored with special organic unit has been developed by Cui and Lin group to implement selectivec atalysis. [15,16] Moreover,c onsidering nanoparticle (NP) as an ew type of guest molecule, Xu and Zhang et al launchedt he design and preparation of NP@MOF composite for catalysis purpose.…”
Section: Introductionmentioning
confidence: 99%
“…[11,12] Am atch betweenp ore size and guest molecule was also well realized by Chen and Zhang groups and thus it was used to carry out selective adsorption and industrial separation. [13,14] Pores anchored with special organic unit has been developed by Cui and Lin group to implement selectivec atalysis. [15,16] Moreover,c onsidering nanoparticle (NP) as an ew type of guest molecule, Xu and Zhang et al launchedt he design and preparation of NP@MOF composite for catalysis purpose.…”
Section: Introductionmentioning
confidence: 99%
“…[8] For all the diversity of Diels-Alder transition state possibilities, [9,10] butadiene is believed to adopt ap lanar structure in the lowest, aromatically stabilized, pericyclic transition state, [11] no doubt because orbital considerations suggest ap lanar cis conformation for optimal overlap with the psystem of the dienophile. [12] It is therefore surprising that the planarity of cis-butadiene itself remains at opic of interest [13] and even controversy.A lthough the planarity of trans-butadiene is wellestablished and attributed to conjugation between the two double bonds,s teric interaction between the inner terminal hydrogens of cis-butadiene is ac ompeting factor that favors an on-planar gauche conformation. After the existence of asecond conformer was first established in 1946, [14] numerous studies were unable to determine its structure or even its symmetry definitively.…”
mentioning
confidence: 99%
“…This kind of materials not only has ultra-high specific surface area, [70][71][72][73] rich topological structure, [74][75][76][77] but high tailorability and designability. They have been extensively studied in the fields of gas adsorption, separation and storage, [78][79][80] fluorescence, [81][82][83] magnetism, [84][85][86][87] and biopharmaceuticals. [88][89][90] Because of their large surface area, it is beneficial to the adsorption of reactants, facilitating catalytic reactions.…”
Section: Introductionmentioning
confidence: 99%