Themed collection Molecular spectroscopy in the study of the reaction mechanism

8 items
Editorial

Special issue: molecular spectroscopy in the study of reaction mechanisms

Introduction to The 1st Thematic School “Vibrational and electronic spectroscopies applied to the study of reaction mechanisms – MECAREACT” (https://mecareact.sciencesconf.org/) 2023 themed collection.

Graphical abstract: Special issue: molecular spectroscopy in the study of reaction mechanisms
Paper

Investigating nalidixic acid adsorption onto ferrihydrite and maghemite surfaces: molecular-level insights via continuous-flow ATR-FTIR spectroscopy

In situ time-resolved ATR-IR investigation of the adsorption of nalidixic acid on iron oxides at the oxide/water interface.

Graphical abstract: Investigating nalidixic acid adsorption onto ferrihydrite and maghemite surfaces: molecular-level insights via continuous-flow ATR-FTIR spectroscopy
Open Access Paper

In situ FTIR spectroscopic investigations on rhodium carbonyl complexes in the absence of phosphorus ligands under hydroformylation conditions

The composition of mixtures of rhodium carbonyl complexes in the absence of P-ligands under varying conditions relevant for hydroformylation have been studied by in situ FTIR spectroscopy.

Graphical abstract: In situ FTIR spectroscopic investigations on rhodium carbonyl complexes in the absence of phosphorus ligands under hydroformylation conditions
Open Access Paper

Photoejection–recapture of the Ca2+ cation studied by time resolved spectroscopy and TDDFT calculations: the case study of an azacrown–iridium(III) complex

The photophysical properties of an azacrown–iridium(III) complex, designed to trap and photo-release Ca2+, are investigated with ultrafast spectroscopy and TDDFT calculations.

Graphical abstract: Photoejection–recapture of the Ca2+ cation studied by time resolved spectroscopy and TDDFT calculations: the case study of an azacrown–iridium(iii) complex
Open Access Paper

Modulation of intramolecular Fe oxidation with distance and driving force in Ru–Fe photocatalysts

The intramolecular electron transfer process in four Ru–Fe dyads was investigated. Rates, electronic coupling and reorganisation energy are discussed in the frame of Marcus theory.

Graphical abstract: Modulation of intramolecular Fe oxidation with distance and driving force in Ru–Fe photocatalysts
Open Access Paper

Tracking photoinduced charge separation in a perfluorinated Zn-tetraphenylporphyrin sensitizer

A zinc porphyrin photosensitizer (ZnF20) is investigated for photoinduced charge separation with different electron donors. Probes of optical light absorption and resonance Raman scattering are used to track the evolution of transient species.

Graphical abstract: Tracking photoinduced charge separation in a perfluorinated Zn-tetraphenylporphyrin sensitizer
Open Access Paper

Excited state dynamics of homoleptic Zn(II)dipyrrin complexes and their application in photocatalysis

Using Zn-dipyrrins as photocatalysts involves exciting an intramolecular charge-transfer (ICT) state and intersystem crossing (ISC). To optimize the catalyst, studying ISC branching pathways competing with fluorescence and internal conversion (IC) is essential.

Graphical abstract: Excited state dynamics of homoleptic Zn(ii)dipyrrin complexes and their application in photocatalysis
Paper

Synthesis and spectroscopic properties of carotenoid bis-phenylhydrazone astaxanthin: extending conjugation to a C[double bond, length as m-dash]N group

The study of bis-phenylhydrazone astaxanthin (BPH-Asx), examines its synthesis, spectroscopy, and altered excited-state dynamics compared to astaxanthin (Asx).

Graphical abstract: Synthesis and spectroscopic properties of carotenoid bis-phenylhydrazone astaxanthin: extending conjugation to a C [[double bond, length as m-dash]] N group
8 items

About this collection

Vibational and electronic spectroscopy is experiencing a continuous and exponential growth thanks to its implication in many research fields spanning from photochemistry/photobiology to catalysis, but also material science and biology.

The aim of this collecion is to gather all the scientific contributions presented to the Thematic School MECAREACT “Vibrational and Eelctronic spectroscopy in the study of reaction mechanism” held in Paris, from June 18 to June 23, 2023.

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