呋喃
环加成
马来酸酐
Diels-Alder反应
化学
计算化学
光化学
有机化学
催化作用
共聚物
聚合物
作者
Xinyue Zhang,Xiao Tian,Jiayi Li,Meng Li,Tianyue Gao,Siyu Zou,Junhua Chen,Xuefang Xu,Qian Gou,Jens–Uwe Grabow
标识
DOI:10.1021/acs.jpclett.2c03560
摘要
The prereactive intermediate in the furan-maleic anhydride cycloaddition, a classical Diels-Alder reaction, has been captured and characterized in pulsed jets by Fourier transform microwave spectroscopy for the first time. The observed species is stabilized by the π-π* interaction between the two moieties, which connects to the endo channel of the cycloaddition. The secondary interactions between the C=C and C=O in the observed isomer are accountable for its lower energy with respect to the one with the exo channel. The present study tries to fill the significant void of the experimental information on prereactive intermediates as the first stage of Diels-Alder cycloadditions, by outlining the stability of the prereactive intermediate and its accurate molecular structure and by emphasizing the role of the π-π* interaction in governing the stereochemical outcome of the reaction.
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