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Strong isotope effects in the infrared spectrum of the Zundel cation.

  作者 Vendrell, Oriol;Gatti, Fabien;Meyer, Hans-Dieter;  
  选自 期刊  Angewandte Chemie, International Edition;  卷期  2009年48-2;  页码  352-355  
  关联知识点  
 

[摘要]Increasing the mass makes a mess: partial or total deuteration of the protonated H2O 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 H2O cluster.

 
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