The Journal of Physical Chemistry B · 2008 · 93 citations · 81 references
Natural SciencesChemistryMaterials ScienceElectronic MaterialsOrganic ChemistryQuantum ChemistryFluorescence SpectroscopyOrganic Electronic MaterialsOrganic SemiconductorsPhotochemical SynthesisPhotochemistryFatigue ResistanceOptical PropertiesQuantum Chemical ModelingSix-membered Heterocycles
Two novel photochromic bisthienylethene derivatives BTE-NA1 and BTE-NA2 with a six-membered aryl ring of naphthalimide fluorescent moiety as the center ethene bridging unit were synthesized and fully characterized by 1H NMR, 13C NMR, and HRMS. They exhibit considerably high cyclization quantum yield and good fatigue resistance. Interestingly, the fluorescence of BTE-NA1 arising from the naphthalimide unit could be well modulated by photochromism and solvatochromism. Quantum chemical calculations were carried out to study their geometrical, electronic, and optical properties, which were in good accordance with the experimental data. Furthermore, a combined NOR and INHIBIT logic operation based on BTE-NA1 has been successfully mimicked with fluorescence changes as outputs.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Andreas Dreuw, Martin Head‐Gordon · Journal of the American Chemical Society · 2004 · 1.8K citations
Natural Sciences, Chemistry, Physics +17