Mechanism of the photo triggered ring-opening reaction of spiropyran derivatives (SP-X1-7; X1-7 = H, NO2, CF3, CN, OH, OMe and NMe2) in the gas phase and various solvent media: A GD3-TD-DFT approach

Hossein Roohi, Tayebe Rostami

2020Journal of Photochemistry and Photobiology A Chemistry14 citationsDOI

Topics & Concepts

SpiropyranPhotochromismMerocyanineChemistryNatural bond orbitalExcited statePhotochemistryGround stateIsomerizationSubstituentSolventComputational chemistryStereochemistryDensity functional theoryOrganic chemistryNuclear physicsCatalysisPhysicsQuantum mechanicsPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics researchLight effects on plants