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Ultrafast cis-to-trans photoisomerization of a bridged azobenzene through n excitation: rotational pathway is not restricted
 

Summary: Ultrafast cis-to-trans photoisomerization of a bridged azobenzene through nú
excitation: rotational pathway is not restricted
Chen-Wei Jiang,1, 2
Rui-Hua Xie,1, 3
Fu-Li Li,1
and Roland E. Allen2
1
MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter,
and Department of Applied Physics, Xi'an Jiaotong University, Xi'an 710049, China
2
Department of Physics, Texas A&M University, College Station, TX 77843, United States
3
Department of Physics, Hubei University, Wuhan 430062, China
(Dated: December 17, 2011)
A bridged azobenzene was recently found by Siewertsen et al. to exhibit highly efficient photoiso-
merization through n
absorption. In the work of the present letter, cis-to-trans photoisomerization
of this molecule in the gas phase was examined in detail via density-functional-based dynamical sim-
ulations. Our results indicate that rotation around the central NN bond is the dominant mechanism
when this reaction proceeds via n

  

Source: Allen, Roland E. - Department of Physics and Astronomy, Texas A&M University

 

Collections: Physics