Far-Infrared Investigation of the Benzene-Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways.,The Journal of Physical Chemistry A

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Far-Infrared Investigation of the Benzene-Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways.
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2020-01-13 , DOI: 10.1021/acs.jpca.9b01497
J Andersen ₁ , R Wugt Larsen ₁ , J Ceponkus ₂ , P Uvdal ₃ , B Nelander ₃

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The far-infrared spectrum of the weakly OH···π hydrogen-bonded benzene-water complex has been studied in neon and argon matrices, below 30 K. The in-plane water libration has been observed in both neon and argon for H2O and D2O complexed with C6H6 and C6D6 but not for the corresponding complexes involving HDO. Both H2O and D2O can tunnel between the two possible hydrogen bonds. This is not possible for HDO. The reported far-infrared observations have implications for the interpretation of the previously obtained molecular beam microwave spectrum of the benzene-water complex.

中文翻译：

苯-水配合物的远红外研究：大幅度运动和隧穿通道的识别。

在30 K以下的氖气和氩气基质中研究了弱OH··π氢键苯-水络合物的远红外光谱。在H2O和H2O的氖气和氩气中均观察到面内水释放D2O与C6H6和C6D6形成复合物，但不包含涉及HDO的相应复合物。H2O和D2O均可在两个可能的氢键之间隧穿。对于HDO，这是不可能的。所报道的远红外观测结果对先前获得的苯-水配合物的分子束微波光谱的解释具有重要意义。

更新日期：2020-01-14

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