丝光沸石中Brønsted遗址的位置

Alberto Alberti
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引用次数: 79

摘要

丝光沸石晶体结构的细化表明,在观察范围(6-9)Al/单位胞内,四面体位的部分(Si,Al)有序规律地重复出现。因此,对于给定的Si/Al比率,可以确定每个框架氧上可分配的OH基团的最大数量。假设一个四面体的氧同时只能与一个质子成键,结构数据表明,Brønsted位点极有可能位于框架氧02和07上,朝向12环的中心,以及09上,朝向8环的中心,它们的占比大致相同。羟基Si(OH)Al的红外拉伸带强度(约3600 cm−1波数)与这一结果吻合得很好。
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Location of Brønsted sites in mordenite

Crystal structure refinements of mordenites indicate that partial (Si,Al) order in the tetrahedral sites regularly recurs within the observed range (6–9) Al/unit cell. Consequently, for a given Si/Al ratio, it is possible to determine the maximum number of OH groups that can be allocated on each framework oxygen. Assuming that only one proton can be bonded at the same time to the oxygens of a tetrahedron, structural data indicate that it is highly probable that Brønsted sites are on framework oxygens 02 and 07, heading toward the center of the 12-ring, and on 09, heading toward the center of the 8-ring, each with about the same population. The intensities of the i.r. stretching bands (around 3,600 cm−1 wavenumbers) of the hydroxyls Si(OH)Al agree well with this result.

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Metal-organic Frameworks for Catalysis 19th International Zeolite Conference(IZC’19)参加報告 19th International Zeolite Conference(IZC’19)参加報告 実験化学,計算機化学,データサイエンスの融合による設計的ゼオライト合成 古典的なASFモデルを打破するジェット燃料直接合成用Co/Ymeso-La触媒
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