Deconstructing water's diffuse OH stretching vibrational spectrum with cold clusters

Yang Nan; Duong Chinh H.; Kelleher Patrick J.; McCoy Anne B.; Johnson Mark A.

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Deconstructing water's diffuse OH stretching vibrational spectrum with cold clusters

机译：用冷团簇解构水的扩散OH拉伸振动谱

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The diffuse vibrational envelope displayed by water precludes direct observation of how different hydrogen-bond topologies dictate the spectral response of individual hydroxy group (OH) oscillators. Using cold, isotopically labeled cluster ions, we report the spectral signatures of a single, intact water (H2O) molecule embedded at various sites in the clathrate-like cage structure adopted by the Cs+center dot(D2O)(20) ion. These patterns reveal the site-dependent correlation between the frequencies of the two OH groups on the same water molecule and establish that the bound OH companion of the free OH group exclusively accounts for bands in the lower-energy region of the spectrum. The observed multiplet structures reveal the homogeneous linewidths of the fundamentals and quantify the anharmonic contributions arising from coupling to both the intramolecular bending and intermolecular soft modes.

机译：由水显示的扩散振动包络无法直接观察到不同的氢键拓扑如何决定各个羟基（OH）振荡器的光谱响应。使用冷，同位素标记的簇离子，我们报告了一个完整的水（H2O）分子的光谱特征，该分子嵌入Cs +中心点（D2O）（20）离子采用的笼状笼状结构的各个位置。这些模式揭示了同一水分子上两个OH基团的频率之间的位置相关关系，并确定了游离OH基团的结合OH伴侣专门解释了光谱较低能区中的谱带。观察到的多重结构揭示了基本的均一线宽，并量化了由于耦合到分子内弯曲和分子间软模式而产生的非谐贡献。

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《Science》 |2019年第6437期|275-278|共4页
作者
Yang Nan; Duong Chinh H.; Kelleher Patrick J.; McCoy Anne B.; Johnson Mark A.;
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作者单位

Yale Univ, Sterling Chem Lab, New Haven, CT 06520 USA;

Yale Univ, Sterling Chem Lab, New Haven, CT 06520 USA;

Yale Univ, Sterling Chem Lab, New Haven, CT 06520 USA;

Univ Washington, Dept Chem, Seattle, WA 98195 USA;

Yale Univ, Sterling Chem Lab, New Haven, CT 06520 USA;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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正文语种 eng
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Deconstructing water's diffuse OH stretching vibrational spectrum with cold clusters

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