Although the local geometry of Mo in Mo/HZSM-5 has been characterized before, we present a systematic way to manipulate the configuration of Mo and link it to its catalytic properties. The location and geometry of cationic Mo-complexes, the precursor of the active metal site for methane dehydroaromatization, are altered by directing the way they anchor to the framework of the zeolite. The feature used to direct the anchoring of Mo is the location of Al in the zeolite framework. According to DFT calculations, the local geometry of Mo should change, while UV-vis and pyridine FTIR spectroscopy indicated differences in the dispersion of Mo. Both aspects, however, did not influence the catalytic behavior of Mo/HZSM-5, indicating that as long as enough isolated Mo species are present inside the pores of the zeolite, the catalytic behavior is unaffected. This paves the way to better understand how the Mo oxo precursor transforms into the active phase under the reaction conditions.

中文翻译：

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H-ZSM-5中Mo前体状态与甲烷脱氢芳构化的相关性†

尽管以前已经对Mo / HZSM-5中Mo的局部几何形状进行了表征，但我们还是提出了一种系统的方法来操纵Mo的构型并将其与其催化性能联系起来。阳离子Mo-络合物（甲烷脱氢芳构化的活性金属位点的前体）的位置和几何形状可通过引导它们固定在沸石骨架上的方式来改变。用于引导Mo锚定的特征是Al在沸石骨架中的位置。根据DFT计算，Mo的局部几何形状应发生变化，而UV-vis和吡啶FTIR光谱表明Mo的分散性有所不同。然而，这两个方面均不影响Mo / HZSM-5的催化行为，表明只要在沸石的孔中存在足够的孤立的Mo物种，催化行为就不会受到影响。