Search results for " photochromism"

showing 3 items of 3 documents

Density Functional Theory Study of the Trans-Trans-Cis (TTC)→Trans-Trans-Trans (TTT) Isomerization of a Photochromic Spiropyran Merocyanine

2008

Density Functional Theory (DFT) calculations have been performed on the TTC→TTT isomerization reaction of the open forms of the 1',3'-dihydro-8-bromo-6-nitro- 1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-(2H)indole (8-Br-6-nitro-BIPS) system. The calculations were carried out in vacuo and in methylene chloride solution at different temperatures. Results are compared with the available experimental values of free energy difference and activation energy in solution.

Models MolecularIndolesVacuumSpiropyran; photochromism; DFT calculation; solvent influence on activation energy; merocyanine.merocyaninesolvent influence on activation energyPharmaceutical ScienceDFT calculationPyrimidinonesPhotochemistryArticleAnalytical Chemistrylcsh:QD241-441Photochromismchemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryBenzopyransMerocyaninePhysical and Theoretical ChemistryMethyleneFluorescent DyesIndole testSpiropyranMethylene ChlorideOrganic ChemistryStereoisomerismModels TheoreticalNitro CompoundsphotochromismSolutionschemistrymerocyanine.Chemistry (miscellaneous)ThermodynamicsMolecular MedicineDensity functional theorySpiropyranIsomerizationCis–trans isomerismMolecules
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Modulating the luminance of organic light-emitting diodes via optical stimulation of a photochromic molecular monolayer at transparent oxide electrode

2020

Nanoscale 12(9), 5444-5451 (2020). doi:10.1039/D0NR00724B

Solar cells of the next generationMaterials sciencediarylethenes organic light-emitting diode photochromism self-assembled monolayers02 engineering and technologyElectroluminescence010402 general chemistry01 natural scienceschemistry.chemical_compoundDiaryletheneOLEDUltraviolet lightGeneral Materials ScienceDiodeSettore CHIM/02 - Chimica Fisicabusiness.industry600021001 nanoscience & nanotechnology0104 chemical sciencesIndium tin oxidechemistryElectrodeOptoelectronicsCharge carrier0210 nano-technologybusinessddc:600Nanoscale
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Proton‐Gated Ring‐Closure of a Negative Photochromic Azulene‐Based Diarylethene

2020

Abstract Proton‐responsive photochromic molecules are attractive for their ability to react on non‐invasive rapid optical stimuli and the importance of protonation/deprotonation processes in various fields. Conventionally, their acidic/basic sites are on hetero‐atoms, which are orthogonal to the photo‐active π‐center. Here, we incorporate azulene, an acid‐sensitive pure hydrocarbon, into the skeleton of a diarylethene‐type photoswitch. The latter exhibits a novel proton‐gated negative photochromic ring‐closure and its optical response upon protonation in both open and closed forms is much more pronounced than those of diarylethene photoswitches with hetero‐atom based acidic/basic moieties. …

azulenenegative photochromismProtonation010402 general chemistryPhotochemistry01 natural sciencesCatalysischemistry.chemical_compoundPhotochromismDeprotonationDiaryletheneMoleculeMolecular switchphotochemistryPhotoswitch010405 organic chemistryCommunicationPhotoswitchesGeneral ChemistryAzuleneCommunications3. Good health0104 chemical sciences540 Chemie und zugeordnete Wissenschaftenchemistryacid-base equilibriaddc:540diarylethene
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