The cycloaddition reactions of 2,3-bis (ethylene sulfonyl)-1,3-butadiene with 2,3-dimethyl- 1,3-butadiene, cyclopentadiene, 2-methyl prop-2-enoate and ethyl vinyl ether have been theoretically studied using the DFT method at the MPWB1K/cc-pVDZ level of theory. There are two possible modes of participation in each reaction (2π and 4π electron), of which the 2π electron is preferred. The energy results indicate that formations of the [2+4] cycloadducts are favored kinetically. The stereoselectivity of the [2+4] cycloaddition reaction of 2,3-bis (ethylene sulfonyl)-1,3-butadiene with cyclopentane is the highest and the energy barrier for this process is the lowest.

从理论上研究了2,3-双（乙烯磺酰基）-1,3-丁二烯与2,3-二甲基-1,3-丁二烯，环戊二烯，2-甲基丙-2-烯酸酯和乙基乙烯基醚的环加成反应在MPWB1K / cc-pVDZ理论水平上使用DFT方法。每个反应有两种可能的参与模式（2π和4π电子），其中2π电子是优选的。能量结果表明[2 + 4]环加合物的形成在动力学上是有利的。2,3-双（亚乙基磺酰基）-1,3-丁二烯与环戊烷的[2 + 4]环加成反应的立体选择性最高，而该过程的能垒最低。