Search results for "PORP"

showing 10 items of 567 documents

Interpretation of the electronic absorption spectrum of free base porphin by using multiconfigurational second-order perturbation theory

1998

Abstract Multiconfigurational second-order perturbation (CASPT2) calculations have been performed on the low-lying optically allowed valence excited states of the free base porphin molecule in order to assign the four lowest bands of the spectrum. The low-lying triplet states have also been characterized. A basis set of the atomic natural orbital type of split-valence plus polarization quality for first-row atoms has been employed. Polarization functions are important for an accurate description of the transitions. These CASPT2 results provide a consistent picture of the experimental spectrum. Each band of the spectrum up to 4.5 eV is composed of a pair of states, which become degenerate in…

chemistry.chemical_compoundValence (chemistry)Absorption spectroscopychemistryAb initio quantum chemistry methodsExcited stateDegenerate energy levelsGeneral Physics and AstronomyPhysical and Theoretical ChemistryAtomic physicsBasis setSpectral linePorphinChemical Physics Letters
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Frontispiece: Positive Allosteric Control of Guests Encapsulation by Metal Binding to Covalent Porphyrin Cages

2019

chemistry.chemical_compoundchemistryCovalent bondMetal bindingOrganic ChemistryAllosteric regulationSupramolecular chemistryGeneral ChemistryCombinatorial chemistryPorphyrinCatalysisEncapsulation (networking)Chemistry - A European Journal
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B,B-Diporphyrinbenzyloxy-BODIPY dyes: synthesis and antenna effect.

2012

B,B-Diporphyrinbenzyloxy-BODIPY derivatives have been prepared in high yields, and the photophysical properties are reported. Singlet energy transfers from BODIPY to the porphyrin units have been analyzed.

chemistry.chemical_compoundchemistryEnergy transferOrganic ChemistryAntenna effectSinglet stateBODIPYPhotochemistryPorphyrinThe Journal of organic chemistry
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Bactericidal efficiency of porphyrin systems

2021

Photodynamic Inactivation is an innovative technique used to combat bacterial and viral infections which involves the use of photosensitizing agents along with light to generate cytotoxic reactive oxygen species able to kill bacteria and viruses. In the first section of this minireview, porphyrin-based fluorophores are shown to be remarkable dye candidates for PDI (photodynamic inactivation) applications. The second section is dedicated to the description of porphyrin-based antimicrobial materials and their potentialities for industrial applications such as in food packaging or antimicrobial medical devices and hygiene. Finally, the failings and perspectives of PDI are analyzed to demonstr…

chemistry.chemical_compoundchemistryGeneral ChemistryPhotosensitizing AgentPorphyrinCombinatorial chemistryJournal of Porphyrins and Phthalocyanines
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Redox properties of nitrophenylporphyrins and electrosynthesis of nitrophenyl-linked Zn porphyrin dimers or arrays

2014

Five nitrophenylporphyrins were investigated as to their electrochemical properties in CH 2 Cl 2 containing 0.1 M TBAP. The investigated compounds are represented as ( NO 2 Ph )x Ph 4-x PorM , where Por represents the dianion of the porphyrin macrocycle, Ph is a phenyl group on meso-position of the macrocycle, NO 2 Ph is a meso-substituted nitrophenyl group, M = 2 H , Pd II or Zn II and x = 1 or 2. Each porphyrin undergoes an initial one electron reduction at E1/2 = -1.07 to -1.12 V where the added negative charge is almost totally localized on the meso-nitrophenyl group of the compound. This reversible reduction is then followed by one or more irreversible reductions of the nitrophenyl an…

chemistry.chemical_compoundchemistryOne-electron reductionPhenyl groupGeneral ChemistryConjugated systemElectrosynthesisPhotochemistryElectrochemistryPorphyrinMedicinal chemistryRedoxIonJournal of Porphyrins and Phthalocyanines
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Conductive Directly Fused Poly(Porphyrin) Coatings by Oxidative Chemical Vapour Deposition - From Single- to Triple-Fused

2019

chemistry.chemical_compoundchemistryPolymerizationChemical engineeringOrganic ChemistryChemical vapor depositionPhysical and Theoretical ChemistryThin filmPorphyrinElectrical conductorEuropean Journal of Organic Chemistry
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The Photocatalytic Activity of Novel, Substituted Porphyrin/TiO2-Based Composites

2010

Four novel porphyrins, 5-[3-(3-phenoxy)-propoxy]phenyl porphyrin, 5,15-di-[3-(3-phenoxy)-propoxy] phenyl porphyrin, 5,10,15-tri-[3-(3-phenoxy)-propoxy]phenyl porphyrin, 5,10,15,20-tetra-[3-(3-phenoxy)- propoxy]phenyl porphyrin, and their corresponding Cu(II) porphyrins, were synthesized and characterized spectroscopically. The photodegradation of 4-nitrophenol in aq. suspension was used to determine the photocatalytic activity of polycrystalline TiO2 samples which had been impregnated with the Cu(II) porphyrins, as sensitizers. The photocatalytic activity of the composite depends mainly on the amount of sensitizer on the TiO2 surface rather than the nature of the substituted porphyrins.

chemistry.chemical_compoundchemistryProcess Chemistry and TechnologyGeneral Chemical EngineeringPolymer chemistryTitanium dioxidePhotocatalysisPhotosensitizerCrystallitePhotodegradationPhotochemistryPorphyrinPorphyrins Cu(II)-porphyrins Substitutions Photosensitizers Photodegradation Titanium Dioxide
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Design of guanidinium porphyrins as potential G-quadruplex ligands

2012

We report herein an easy and smooth synthesis of two novel tetra-meso-substituted porphyrins bearing terminal guanidinium functionalities. These two guanidine derivatives are the porphyrin-based analogs of ZnPC , a closely related phthalocyanine-based molecule with four guanidinium arms already reported as an efficient G-quadruplex ligand.

chemistry.chemical_compoundchemistryStereochemistryLigandPhthalocyanineMoleculeGeneral ChemistryG-quadruplexPorphyrinGuanidine derivativesJournal of Porphyrins and Phthalocyanines
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Cyclam-strapped porphyrins and their iron(III)-copper(II) complexes as models for the resting state of cytochrome c oxidase

1999

International audience; The ESR study of two cyclam-strapped porphyrins in which, on one side, the cyclam is attached with a variable length linker to the porphyrin and, on the other side, a non-coordinating strap protects the iron from any intermolecular interaction, is reported. Variation of the linker length is made possible by the use of either a Michael reaction or a nucleophilic substitution, leading respectively to three or two carbon atom links. It is shown that in the case of the shortest link, the oxidized ironÈcopper complex exhibits a spin interaction. The distance between thetwo metal centers is evaluated to be around 4.5 Å, a value consistent with the one found in the natural …

chemistry.chemical_element010402 general chemistryPhotochemistry01 natural sciences[ CHIM ] Chemical SciencesCatalysisMetalchemistry.chemical_compoundCyclam[CHIM] Chemical SciencesMaterials ChemistryNucleophilic substitutionCytochrome c oxidase[CHIM]Chemical Sciencesbiology010405 organic chemistryGeneral ChemistryPorphyrinCopper0104 chemical sciencesCrystallographychemistryvisual_artvisual_art.visual_art_mediumMichael reactionbiology.proteinLinker
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Excited State N−H Tautomer Selectivity in the Singlet Energy Transfer of a Zinc(II)-Porphyrin-Truxene-Corrole Assembly

2017

International audience; An original corrole-containing polyad for S-1 energy transfer, in which one zinc(II)-porphyrin donor is linked to two free-base corrole acceptors by a truxene linker, is reported. This polyad exhibits a rapid zinc(II)-porphyrin*free-base corrole transfer (4.83x10(10)s(-1); 298K), even faster than the tautomerization in the excited state processes taking advantage of the good electronic communication provided by the truxene bridge. Importantly, the energy transfer process shows approximately 3-fold selectivity for one corrole N-H tautomer over the other even at low temperature (77K). This selectivity is due to the difference in the J-integral being effective in both t…

chemistry.chemical_elementDexter energy transferZinccore-modified corroles010402 general chemistryPhotochemistry7. Clean energy01 natural sciencesmain-group elements[ CHIM ] Chemical SciencesCatalysisfree-base corroleschemistry.chemical_compoundmolecular-orbital methods[CHIM]Chemical SciencesSinglet stateCorrolecorrolesdensity-functional theoryvalence basis-setsphotophysical propertiestautomerization010405 organic chemistrytruxenesensitized solar-cellsOrganic ChemistryGeneral ChemistryTautomerPorphyrin0104 chemical scienceschemistrymesosubstituted corrolesExcited stateFRETextended basis-setsSelectivityLinker
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