摘要：

Increasing the mass makes a mess: Partial or total deuteration of the protonated water dimer drastically alters its vibrations. Coupling between certain vibrational modes is strongly enhanced, whereas other modes are decoupled. Full‐dimensional quantum‐dynamics simulation and assignment of the IR spectrum of various isotopologues of the cation show the intricate dynamics of the smallest protonated water cluster. <img class="figure__image" src="https://wol-prod-cdn.literatumonline.com/cms/attachment/30873f67-b57c-4169-b122-1a87e05c5bab/mcontent.gif" data-lg-src="https://wol-prod-cdn.literatumonline.com/cms/attachment/3cb84040-a819-4c86-9cc8-cc40b7a02e4c/mcontent.jpg">

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