Li Jiayi, Wang Xiujuan, Zhang Xinyue, Chen Junhua, Wang Hao, Tian Xiao, Xu Xuefang, Gou Qian
Department of Chemistry, School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331, Chongqing, China.
School of Pharmacy, Guizhou Medical University, Guiyang, 550000, Guizhou, China.
Phys Chem Chem Phys. 2023 Feb 8;25(6):4611-4616. doi: 10.1039/d2cp05861h.
The rotational spectra of maleic anhydride-(HO) have been investigated for the first time by using pulsed jet Fourier transform microwave spectroscopy with complementary computational analyses. The experimental evidence points out that water tends to self-aggregate with hydrogen bonds and form homodromic cycles. Differences in bond lengths and charge distribution between the two carbonyl sites have been observed upon stepwise hydrations, which might further introduce a selectivity on the nucleophilic attack sites of hydrolysis. This study provides an important insight into the incipient solvation process (microsolvation) of maleic anhydride in water by understanding the cooperation and rearrangement of intermolecular hydrogen bonds in its stepwise hydrates.
首次利用脉冲喷射傅里叶变换微波光谱结合补充性计算分析研究了马来酸酐-(HO)的转动光谱。实验证据表明，水倾向于通过氢键自聚集并形成同向循环。逐步水合时，观察到两个羰基位点之间的键长和电荷分布存在差异，这可能会进一步引入水解亲核攻击位点的选择性。通过理解马来酸酐逐步水合物中分子间氢键的协同作用和重排，本研究为马来酸酐在水中的初始溶剂化过程（微溶剂化）提供了重要见解。
