Surface methoxy species bound to an extra‐framework Al (SMS‐EFAL) was unambiguously identified by advanced ¹³C‐{²⁷Al} double‐resonance solid‐state NMR technique in the methanol‐to‐olefins reaction on H‐ZSM‐5 zeolite. The high reactivity of the SMS‐EFAL leads to the formation of surface ethoxy species and ethanol as the key intermediates for ethene generation in the early reaction stage. A direct route for the initial C−C bond formation in ethene was proposed and corroborated by density functional theory calculations.

中文翻译：

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沸石H-ZSM-5上甲醇制烯烃转化中的骨架外铝辅助的初始C-C键形成。

先进的¹³ C- { ²⁷ Al}双共振固态NMR技术在H-ZSM-5沸石上的甲醇-烯烃反应中明确鉴定了与骨架外Al（SMS-EFAL）结合的表面甲氧基物质。SMS-EFAL的高反应活性导致表面乙氧基物质的形成和乙醇成为反应初期乙烯生成的关键中间体。提出了在乙烯中形成初始C-C键的直接途径，并通过密度泛函理论计算得到了证实。