Hydrogen-Bond Configurations of Hydration Water around Glycerol Investigated by HOH Bending and OH Stretching Analysis
Hydrogen-Bond Configurations of Hydration Water around Glycerol Investigated by HOH Bending and OH Stretching Analysis
复制标题
通过 HOH 弯曲和 OH 拉伸分析研究甘油周围水合水的氢键构型
DOI：
10.1021/acs.jpcb.2c05445
复制
发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Shiraga Keiichiro
中科院分区：
文献类型：
--
作者：
Morita Miho;Matsumura Fumiki;Shikata Toshiyuki;Ogawa Yuichi;Kondo Naoshi;Shiraga Keiichiro
为了全面理解甘油作为保湿剂的机理，对水合水的氢键（HB）结构的研究是不够的，已知水合水被甘油扰乱。为了这个目的，我们评估了HB配置的基础上的HOH弯曲和OH拉伸光谱的水合水从那些甘油/水的混合物减去散装水和甘油的贡献，使用介电弛豫光谱。HOH弯曲谱带分析表明，随着甘油含量的增加，水合供水的HBS失去了分子间的弯曲偶联，取代水-水的HBS与水-甘油的HBS。OH伸缩带提供了更详细的洞察HB配置，表明双供体双受体和双供体单受体配置在散装水的变化，主要是双供体单受体配置在水合水甘油周围。形成的供体HB多于受体HB可能是由于甘油的空间限制和/或水和甘油之间氧原子上的部分电荷的差异。
Toward a comprehensive understanding of the mechanism of glycerol as a moisturizer, studies on the hydrogen-bond (HB) structure of hydration water, which is known to be disordered by glycerol, are insufficient. To this aim, we evaluated the HB configurations based on the HOH bending and OH stretching spectra of the hydration water from those of glycerol/water mixtures by subtracting the contributions of bulk water and glycerol using dielectric relaxation spectroscopy. Analysis of the HOH bending band showed that hydration water-donating HBs lose the intermolecular bending coupling with increasing glycerol by replacing the water–water HBs with water–glycerol HBs. The OH stretching band provided more detailed insight into the HB configuration, indicating that the double-donor double-acceptor and double-donor single-acceptor configurations in bulk water change to a predominantly double-donor single-acceptor configuration in hydration water around glycerol. The formation of more donor HBs than acceptor HBs may be due to the steric constrains by glycerol and/or differences in the partial charge on the oxygen atom between water and glycerol.