Mechanistic insight into the second-order nonlinear optical properties of Ru-coordinated DTE complexes: Photoisomerization, redox, and protonation switches

The switching of the second-order nonlinear optical (NLO) properties for Ru-coordinated DTE complexes have been investigated by density functional theory. The second-order polarizabilities are sensitive to photoisomerization, redox, and protonation processes. Photoisomerization manipulation is the best pathway for switching the second-order NLO responses of the Ru-coordinated DTE complexes.