By combining advanced spectroscopies (IR and solid-state NMR) and molecular modeling, this work reveals the presence of a proton transfer from the sodalite cage to the supercage of USY zeolite. When a basic probe molecule is in close proximity, the protonation is first assured by a “gate-keeper” silanol, which is restored by a proton transfer from the Brønsted acid site located deeper in the sodalite cage.

中文翻译：

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释放八面沸石中隐藏位点的潜力：质子转移机制的新见解

通过结合先进的光谱学（红外和固态核磁共振）和分子建模，这项工作揭示了从方钠石笼到 USY 沸石超笼的质子转移的存在。当基本探针分子靠近时，质子化首先由“守门员”硅烷醇确保，它通过从位于方钠石笼更深处的布朗斯台德酸位点转移的质子恢复。