Dynamics of the photocyclization of cis-stilbene to dihydrophenanthrene Conference Paper uri icon

abstract

  • Semiclassical simulations are reported for the dynamics of the photocyclization of cis-stilbene, leading to the formation of 4a,4b-dihydrophenanthrene. Photo-excited cis-stilbene rotates about its vinyl and vinyl-phenyl bonds simultaneously. The structural changes result in a series of strong couplings between the highest occupied molecular orbital and the lowest unoccupied molecular orbital. These couplings cause the formation of a new chemical bond between the two phenyl rings of stilbene. The length changes of different C─C bonds, corresponding to the formation of the new molecule, are presented and discussed in detail. © 2004 Taylor & Francis Group, LLC.

author list (cited authors)

  • Dou, Y., & Allen, R. E.

citation count

  • 16

publication date

  • November 2004