Search results for "Photophysics"

showing 10 items of 24 documents

Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate

2016

The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D-UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer in the excited state dynamics. The adenine 1La state can decay without a barrier to a conical intersection with the ground state. In contrast, the adenine 1Lb and uracil S(U) states have minima that are separated from the intersections by sizeable barriers. Depending on the backbone conformation, the CT state can undergo inter-base hydrogen transfer and decay to the ground state through a conical …

Models Molecularmolecular electronicsChemistry MultidisciplinaryMolecular electronicsphotophysic2-DIMENSIONAL ELECTRONIC SPECTROSCOPYSTATE DYNAMICSBASE-STACKINGPhotochemistry01 natural sciences[CHIM] Chemical SciencesNUCLEIC-ACIDSQuímica quànticaEspectrofotometriaConformational isomerismComputingMilieux_MISCELLANEOUSphotophysics010304 chemical physicsFull PaperHydrogen bondChemistryChemistry (all)Full PapersMolecular spectroscopy[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryChemistryFOURIER-TRANSFORM SPECTROSCOPYSpectrophotometryExcited statePhysical Sciences1ST-PRINCIPLES SIMULATION03 Chemical SciencesGround stateUridine MonophosphateQuantum chemistryEspectroscòpia molecularmolecular electronic010402 general chemistryMolecular physicsCatalysisUltraviolet visible spectroscopy0103 physical sciencesPhotophysics | Hot Paper[CHIM]Chemical SciencesSinglet stateUV/Vis spectroscopyULTRAFAST INTERNAL-CONVERSIONSpectroscopyLIGHT-HARVESTING COMPLEXab initio calculationScience & Technologyab initio calculationsOrganic ChemistryGeneral ChemistryDNAConical intersectionDNA FingerprintingAdenosine Monophosphate0104 chemical sciences[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryAB-INITIO SIMULATIONSElectrònica molecularMOLECULAR-DYNAMICSSpectrophotometry Ultraviolet
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NHC-Based Iron Sensitizers for DSSCs

2018

International audience; Nanostructured dye-sensitized solar cells (DSSCs) are promising photovoltaic devices because of their low cost and transparency. Ruthenium polypyridine complexes have long been considered as lead sensitizers for DSSCs, allowing them to reach up to 11% conversion efficiency. However, ruthenium suffers from serious drawbacks potentially limiting its widespread applicability, mainly related to its potential toxicity and scarcity. This has motivated continuous research efforts to develop valuable alternatives from cheap earth-abundant metals, and among them, iron is particularly attractive. Making iron complexes applicable in DSSCs is highly challenging due to an ultrafa…

NHC ligands[CHIM.ORGA]Chemical Sciences/Organic chemistry[CHIM.COOR] Chemical Sciences/Coordination chemistry[CHIM.ORGA] Chemical Sciences/Organic chemistrylcsh:QD146-197[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryiron complexes[CHIM] Chemical Scienceslcsh:Inorganic chemistry[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryexcited statesCèl·lules fotoelèctriquesphotophysicsFerro
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Carbon Nanodots: A Review—From the Current Understanding of the Fundamental Photophysics to the Full Control of the Optical Response

2018

Carbon dots (CDs) are an emerging family of nanosystems displaying a range of fascinating properties. Broadly speaking, they can be described as small, surface-functionalized carbonaceous nanoparticles characterized by an intense and tunable fluorescence, a marked sensitivity to the environment and a range of interesting photochemical properties. CDs are currently the subject of very intense research, motivated by their possible applications in many fields, including bioimaging, solar energy harvesting, nanosensing, light-emitting devices and photocatalyis. This review covers the latest advancements in the field of CDs, with a focus on the fundamental understanding of their key photophysica…

PhotoluminescenceMaterials science530 PhysicsultrafastphotophysicNanoparticleNanotechnology02 engineering and technology010402 general chemistry01 natural sciencesElectronic stateslcsh:QD241-441lcsh:Organic chemistryCarbon nanodotscarbon dots540 Chemistryfemtosecondcarbon dotphotophysicsphotochemistrynanocarbonSettore FIS/01 - Fisica SperimentaleGeneral Medicine021001 nanoscience & nanotechnology0104 chemical sciencesSolar energy harvestingFemtosecondfluorescence0210 nano-technologyUltrashort pulse
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Probing molecular wire: synthesis of donor-acceptor ensembles exhibiting long range electron transfer

2005

A series of donor–acceptor arrays (C60–oligo-PPV–exTTF; 16–20) incorporating p-conjugated oligo(phenylenevinylene) wires (oligo-PPV) of different length between p-extended tetrathiafulvalene (exTTF) as electron donor and C60 as electron acceptor has been prepared by multistep convergent synthetic approaches. The electronic interactions between the three electroactive species present in 16–20 were investigated by UV-visible spectroscopy and cyclic voltammetry (CV). Our studies clearly show that, although the C60 units are connected to the exTTF donors through a p-conjugated oligo- PPV framework, no significant electronic interactions are observed in the ground state. Interestingly, photoindu…

PhotophysicsFullereneSettore CHIM/06 - Chimica OrganicaDonor-Acceptor ensembles
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Molecular wires - long range electron tunneling and hopping in novel donor-acceptor ensembles

2004

PhotophysicsFullereneSettore CHIM/06 - Chimica Organicadonor-acceptor ensembles
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Through space singlet energy transfers in the light harvesting systems and cofacial bisporphyrin dyads

2010

Recent discoveries from our research groups on the photophysics of a few cofacial bisporphyrin dyads for through space singlet and triplet energy transfers raised several important investigations about the mechanism of energy transfers and energy migration in light-harvesting devices, notably LH II, in the heavily investigated purple photosynthetic bacteria. The key feature is that for face-to-face and slipped dyads with controlled structure using rigid spacers or spacers with limited flexibilities, our fastest rates for singlet energy transfer are in the 10 × 109 s -1 (i.e. 100 ps time scale) for donor-acceptor distances of ~3.5–3.6 Å. The time scale for energy transfers between different…

Photosynthetic reaction centre0303 health sciencesenergy transfercofacial bisporphyrinsChemistryContext (language use)General ChemistryChromophore010402 general chemistrySpace (mathematics)01 natural sciences0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry03 medical and health sciencesElectron transferchemistry.chemical_compoundChemical physicsComputational chemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryPhotosynthetic bacteriaBacteriochlorophyllSinglet stateComputingMilieux_MISCELLANEOUS030304 developmental biologyphotophysics
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Selective and Sensitive Chromogenic Detection of Cyanide and HCN in Solution and in Gas Phase

2013

Two triphenylmethane based chemodosimeters for selective and chromogenic sensing of cyanide anions in aqueous environments and of hydrogen cyanide in gas phase were prepared and studied.

Sensor mediaPhotochemistryCyanideInorganic chemistryHydrogen cyanideCatalysisGas phasechemistry.chemical_compoundQUIMICA ORGANICAHydrogen CyanideSodium CyanideMaterials ChemistryAqueous solutionsSodium cyanideSpiropyran conjugateAqueous solutionTriphenylmethaneCyanidesChemodosimeterChromogenicQUIMICA INORGANICAMetals and AlloysGeneral ChemistryAnion recognitionSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsSolutionsPhotophysicschemistryCeramics and CompositesColorimetryGases
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Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes

2021

Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes. Financial support from the Deutsche Forschungsge-meinschaft [DFG, Priority Program SPP 2102] "Light-controlled reactivity of metal complexes" (BA 4467/7-1, LO 714/11-1, …

TrisDenticitysynthesisPyridinepyridine derivativecarbenoidIron compoundsCatalysisexperimental studychemistry.chemical_compoundPyridineMaterials Chemistryphysical chemistrycontrolled studyChemistrySinglet oxygenPyridine ligandsSinglet oxygenMetals and AlloysMesoionicGeneral ChemistryNanosecondPyridine ligandSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialsunclassified drugCrystallographyPhotophysicsiron complexisomerCeramics and CompositesCarbeneschemical structurephotodynamicsphysicsExcitationchemical parameters
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Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands

2020

The possibility of achieving luminescent and photophysically active metal-organic compounds relies on the stabilization of charge transfer states and kinetically and thermodynamically blocking non-...

[CHIM.INOR] Chemical Sciences/Inorganic chemistryDenticity02 engineering and technology[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesChemical synthesischemistry.chemical_compoundPyridinePolymer chemistry[CHIM] Chemical Sciences[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistryfused NHCComputingMilieux_MISCELLANEOUSphotophysicsLigandMinimum Energy Path[CHIM.COOR] Chemical Sciences/Coordination chemistry021001 nanoscience & nanotechnology3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materials[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryGeneral Energyiron complexeschemistrydecay process0210 nano-technologyLuminescenceTD-DFT
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Fluorescent organometallic complexes : when the photovoltaic leads to theranostics

2013

The goal of my PhD thesis was to synthesize new molecules, which give access to fluorescentorganometallic complexes with interesting properties for photovoltaic and theranostic. In thisproject, several main points have been studied.The first part of this manuscript concerns the synthesis of new metallocene and metalloporphyrinsbasedorganometallic complexes to the design of solar cells. After a short introduction, wepresented the synthesis of titanium complexes and metalloporphyrins in the first chapter. Inparticular, we described the synthesis of model compounds and the difficulties encountered duringthe transition to porphyrin derivatives. However, in view of results obtained and opportuni…

[CHIM.INOR] Chemical Sciences/Inorganic chemistryPorphyrinsThéranostiqueAnticancéreuxChimie organométalliqueCytotoxicity studiesOptical imagingChimie de coordinationCoordination chemistryPhotophysicsOrganometallic chemistryBODIPYsTheranosticPorphyrinesImagerie optiquePhotophysiqueEtudes de cytotoxicitéThérapieTherapyCancer
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