德国电子同步加速器研究所Melanie Schnell团队通过电核四极耦合揭示了HCl与少量水分子的解离。相关研究成果于2024年6月6日发表于国际一流学术期刊《科学》。

研究酸在有限数量的水分子存在下的离解，对于理解各种基本化学过程至关重要。

在冷和孤立的射流膨胀中形成的HCl（H₂O）_n团簇的研究中，研究人员利用通过旋转光谱获得的核四极耦合张量，来解读微水环境中H-Cl化学键的性质。对于n＝1到4，H-Cl键是共价键。在n=5和7时，H₃O⁺Cl^-的接触离子对分别在“书”型和“立方”型酸性水团簇的氢键网络内自发形成。

附：英文原文

Title: Electric nuclear quadrupole coupling reveals dissociation of HCl with a few water molecules

Author: Fan Xie, Denis S. Tikhonov, Melanie Schnell

Issue&Volume: 2024-06-06

Abstract: Investigating the dissociation of acids in the presence of a limited number of water molecules is crucial for understanding various elementary chemical processes. In our study focusing on HCl(H2O)n clusters formed in a cold and isolated jet expansion, we utilized the nuclear quadrupole coupling tensor obtained via rotational spectroscopy to decipher the nature of the H-Cl chemical bond in a micro-aqueous environment. For n = 1 to 4, the H-Cl bond is covalent. At n = 5 and 7, the contact ion pair of H3O+Cl is spontaneously formed within the hydrogen bond networks of “book” and “cube” acid-water clusters, respectively.

DOI: ado7049

Source: https://www.science.org/doi/10.1126/science.ado7049