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拉曼光谱探测水中的单个给体-单个受体氢键结构。

The single donator-single acceptor hydrogen bonding structure in water probed by Raman spectroscopy.

机构信息

The School of Earth and Space Sciences, Peking University, 100871, China.

出版信息

J Chem Phys. 2010 Feb 7;132(5):054507. doi: 10.1063/1.3308496.

DOI:10.1063/1.3308496
PMID:20136322
Abstract

In this work, the Raman spectra of aqueous C(12)E(5) solutions are recorded and utilized to demonstrate the existence of single donator-single acceptor (DA) hydrogen bonding in water. From Raman OH stretching bands of aqueous C(12)E(5) solutions, the relative intensity of 3430 cm(-1) subband increases with C(12)E(5) concentrations. For confined water, the DA hydrogen bonding can be expected to be the important hydrogen bonding species. Therefore, the 3430 cm(-1) component can be ascribed to OH vibration engaged in DA hydrogen bonding. This is in agreement with our recent explanation on Raman OH stretching band of water. For water at ambient conditions, the double donor-double acceptor (DDAA) and DA should be the dominant hydrogen bonding species, the ratio of DDAA to DA can be approximately to be 0.75:1, and the mean hydrogen bonding can be determined to be 2.75.

摘要

在这项工作中,记录了水相 C(12)E(5)溶液的拉曼光谱,并利用其证明了在水中存在单给体-单受体 (DA) 氢键。从水相 C(12)E(5)溶液的 Raman OH 伸缩带可以看出,3430 cm(-1)子带的相对强度随 C(12)E(5)浓度的增加而增加。对于受限水,DA 氢键有望成为重要的氢键种类。因此,3430 cm(-1)分量可归因于参与 DA 氢键的 OH 振动。这与我们最近对水的 Raman OH 伸缩带的解释是一致的。对于环境条件下的水,双给体-双受体 (DDAA) 和 DA 应该是主要的氢键种类,DDAA 与 DA 的比例约为 0.75:1,平均氢键数可确定为 2.75。

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