The diatropic sigma ring currents of [(pi)2(s)+(pi)2(s)+(pi)2(s)] pericyclic transition states

作者：Havenith RWA; Jenneskens LW; Fowler PW^*; Steiner E

来源：Chemical communications, 2003, (6): 748-749.

DOI：10.1039/b212251k

Ab initio current-density maps for the (4n + 2)-electron transition states of two thermally allowed [(pi)2(s) + (pi)2(s) + (pi)2(s)] trimerisations, of ethyne to benzene (1), and of ethene to cyclohexane (2), show that both support sigma diatropic ring currents, dominated by four-electron sigma --> sigma* virtual excitation of HOMO electrons.

• 出版日期2003