Triarylpyridinium-Functionalized Terpyridyl Ligand for Photosensitized Supramolecular Architectures: Intercomponent Coupling and Photoinduced Processes Triarylpyridinium-Functionalized Terpyridyl Ligands for Photosensitized Supramolecular Architectures, Part 2. For Part 1 see reference 9.

Lainé, Philippe P.; Bedioui, Féthi; Amouyal, Edmond; Albin, V.; Berruyer‐Penaud, Florence

doi:10.1002/1521-3765(20020715)8:14<3162::aid-chem3162>3.0.co;2-6

Cited by 54 publications

(113 citation statements)

References 16 publications

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“…Namely, besides the overall decrease in the intensity of the various transitions, which was already noticed for the reduced model acceptor, the theoretical calculations are also anticipating the rising of a broad new band in the NIR region. These main features are found to be in good agreement with the experimental data [53].…”

Section: Spectral Signatures Of the Mono-reduced [P1/m] -And [P1-a/ossupporting

confidence: 75%

“…[52,53] Nonetheless, the behavior of the electrochemically reduced forms, [P1-A/M] -, to some extent mimicking the targeted CS state, was remaining somewhat unclear [53]. The photophysical properties of the Os(II)-based dyad as well appeared a little disappointing even if thermodynamics for the charge-separation process was borderline (slightly endoergonic) [53].…”

Section: Pmd: Inorganic Dyadsmentioning

confidence: 83%

“…It was built Table 4 Principal computed electronic transitions (k, in nm) and associated oscillator strength (f) along with absorption maxima (in nm) for simulated (k sim ) and experimental (k exp ) absorption bands for the reduced form of the P1/M and P1-A/Os complexes [57]. c [53]. nd: not determined.…”

Section: Spectral Signatures Of the Mono-reduced [P1/m] -And [P1-a/osmentioning

confidence: 92%

“…2). These dyad systems are showing appealing structural [52] and photochemical properties [53,54]. They derive from a new family of triarylpyridiniofunctionalized [4′-(p-phenyl) n ]terpyridyl ligands, R 2 ).…”

Section: Pmd: Inorganic Dyadsmentioning

confidence: 99%

“…id: ill-defined spectrum. -should no longer be considered as a supramolecular species [24,27,33] as was the case for its native form [52,53]. Upon reduction, the initially rather independent P1/Os and A components are coming on electronically -and noticeably -interact through the phenyl 'spacer', as previously revealed by spin density maps [57].…”

Section: Spectral Signatures Of the Mono-reduced [P1/m] -And [P1-a/osmentioning

confidence: 99%

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Theoretical modelling of photoactive molecular systems: insights using the Density Functional Theory

Ciofini

Lainé

Bedioui

et al. 2005

Comptes Rendus. Chimie

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An account of the performance of a modern and efficient approach to Density Functional Theory (DFT) for the prediction of the photophysical behavior of a series of Ru(II) and Os(II) complexes is given. The time-dependent-DFT method was used to interpret their electronic spectra. Two different types of compounds have been analyzed: (1) a complex undergoing a light induced isomerization of one of its coordination bonds; (2) an inorganic dyads expected to undergo intramolecular photoinduced electron transfer to form a charge separated (CS) sate. Besides the noticeable quantitative agreement between computed and experimental absorption spectra, our results allow to clarify, by first principles, both the nature of the excited states and the photochemical behavior of these complex systems, thus underlying the predictive character of the theoretical approach. RésuméNous rendons compte ici des performances d'une approche moderne et opérante de la théorie de la fonctionnelle de la densité (DFT) pour la prédiction du comportement photophysique de composés du ruthénium (II) et de l'osmium(II). Pour interpréter leurs propriétés d'absorption électronique, l'approche DFT dépendante du temps a été utilisée. Nous illustrons notre propos par l'analyse des deux systèmes suivants : (1) un complexe qui présente une isomérisation photo-induite de la liaison de coordination impliquant l'un de ses ligands ; (2) une molécule bipartite composée d'un complexe photosensibilisateur lié à un accepteur d'électron, conçue pour être le siège d'un transfert d'électron photo-induit conduisant à la formation d'un état de « charges séparées » (CS). Au-delà du remarquable accord quantitatif constaté entre les caractéristiques calculées et expérimentales des spectres d'absorption, nos résultats ont permis de clarifier, ab initio, la nature des états excités impliqués, illustrant ainsi les vertus prédictives de l'approche théorique employée.

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Section: Spectral Signatures Of the Mono-reduced [P1/m] -And [P1-a/ossupporting

confidence: 75%

Section: Pmd: Inorganic Dyadsmentioning

confidence: 83%

Section: Spectral Signatures Of the Mono-reduced [P1/m] -And [P1-a/osmentioning

confidence: 92%

Section: Pmd: Inorganic Dyadsmentioning

confidence: 99%

Section: Spectral Signatures Of the Mono-reduced [P1/m] -And [P1-a/osmentioning

confidence: 99%

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Theoretical modelling of photoactive molecular systems: insights using the Density Functional Theory

Ciofini

Lainé

Bedioui

et al. 2005

Comptes Rendus. Chimie

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Chemistry and Properties of Terpyridine Transition Metal Ion Complexes

Schubert

Winter

Newkome

2011

Terpyridine‐Based Materials

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Cover Picture: Optimum Energy‐Dispersive X‐Ray Spectroscopy Elemental Mapping for Advanced Catalytic Materials (ChemCatChem 9/2013)

Zhang¹,

Zhang²,

Shao³

2013

ChemCatChem

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Cartography for the catalysis researcherThe cover picture shows that the observation of individual elements in advanced catalytic materials can be achieved by determining optimum conditions for obtaining an accurate STEM-EDX elemental map. In their Communication on p. 2586 ff., D. S. Su et al. reveal that a suitable combination of dwell time and beam intensity is crucial in pinpointing elemental distribution by using STEM-EDX mapping. Importantly, trace amounts of catalytic species can be observed towards the analytical limit to determine information, such as elemental composition, size, and morphology, as well as, in particular, the possible dynamic changes in nanoparticles after catalytic reactions.

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Triarylpyridinium-Functionalized Terpyridyl Ligand for Photosensitized Supramolecular Architectures: Intercomponent Coupling and Photoinduced Processes Triarylpyridinium-Functionalized Terpyridyl Ligands for Photosensitized Supramolecular Architectures, Part 2. For Part 1 see reference 9.

Cited by 54 publications

References 16 publications

Theoretical modelling of photoactive molecular systems: insights using the Density Functional Theory

Theoretical modelling of photoactive molecular systems: insights using the Density Functional Theory

Chemistry and Properties of Terpyridine Transition Metal Ion Complexes

Cover Picture: Optimum Energy‐Dispersive X‐Ray Spectroscopy Elemental Mapping for Advanced Catalytic Materials (ChemCatChem 9/2013)

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