Themed collection Bunsen-Tagung 2024: High-Resolution Structural Methods in Material and Life Sciences

11 items
Open Access Paper

The influence of fluorine spin-diffusion on 13C solid-state NMR line shapes of CF3 groups

Spin diffusion among abundant passive spins influences the observable J-multiplet pattern in solid-state NMR spectra.

Graphical abstract: The influence of fluorine spin-diffusion on 13C solid-state NMR line shapes of CF3 groups
Open Access Paper

Structural characterisation and dynamics of a paramagnetic {Cr12Ni3} seahorse in non-crystalline phases

A paramagnetic seahorse-like compound was characterised in non-crystalline phases. While the molecule retains its crystal structure in powder and solution, it is highly dynamic in the gas phase.

Graphical abstract: Structural characterisation and dynamics of a paramagnetic {Cr12Ni3} seahorse in non-crystalline phases
Open Access Paper

Analyzing the concentration-dependent Soret coefficient minimum in salt solutions: an overview

The non-monotonic behavior of the Soret coefficient in aqueous salt solutions with concentration is due to the Onsager coefficient ratio, a dynamic quantity unexplained by thermodynamics.

Graphical abstract: Analyzing the concentration-dependent Soret coefficient minimum in salt solutions: an overview
Open Access Paper

Conversion of methanol at copper clusters on TiO2(110) and SiOx: direct dehydrogenation vs. partial oxidation and influence of cluster size and substrate

In temperature-programmed reaction spectroscopy studies the population of different reaction paths of methanol involving dehydrogenation and oxidation on copper clusters at SiOx and rutile TiO2(110) are discussed as a function of cluster size.

Graphical abstract: Conversion of methanol at copper clusters on TiO2(110) and SiOx: direct dehydrogenation vs. partial oxidation and influence of cluster size and substrate
Paper

Brightness and AIEE behaviour of methylenebis(4,1-phenylene) linkage electron donor–acceptor-based dyads and their implications for robust quantification of explosive picric acid in both aqueous medium and solid state

The brightness and AIEE behavior of imine linkage electron donor–acceptor-based dyads have been revealed and their implications for robust quantification of explosive picric acid in both aqueous medium and the solid state have been demonstrated.

Graphical abstract: Brightness and AIEE behaviour of methylenebis(4,1-phenylene) linkage electron donor–acceptor-based dyads and their implications for robust quantification of explosive picric acid in both aqueous medium and solid state
Open Access Paper

IR spectra of cationic 1,5,9-triazacoronene and two of its cationic derivatives

The gas-phase mid-IR spectra of cationic 1,5,9-triazacoronene and two of its cationic derivatives are presented. Their spectra suggest a possible contribution of polycyclic aromatic nitrogen heterocycles to the interstellar aromatic infrared bands.

Graphical abstract: IR spectra of cationic 1,5,9-triazacoronene and two of its cationic derivatives
Open Access Paper

Controlling achiral and chiral conformations of benzyl alcohol by ortho-halogenation, collisional relaxation and dimerisation

Depending on the carrier gas, ortho-chlorobenzyl alcohol in jet expansions is more or less chiral and hydrogen-bonded.

Graphical abstract: Controlling achiral and chiral conformations of benzyl alcohol by ortho-halogenation, collisional relaxation and dimerisation
Open Access Paper

Symmetry reduction induced by argon tagging gives access to low-lying excited states of FeH+ in the overtone region of the Fe–H stretching mode

The overtone of the Fe–H stretch in ArFeH+ is observed by argon tagging, but the low-lying electronic transition lights up only in the non-linear Ar2FeH+ species.

Graphical abstract: Symmetry reduction induced by argon tagging gives access to low-lying excited states of FeH+ in the overtone region of the Fe–H stretching mode
Open Access Paper

Gold oxide formation on Au(111) under CO oxidation conditions at room temperature

On a Au(111) model catalyst, we observe the formation of gold oxide islands under exposure to atmospheric pressures of oxygen or CO oxidation reaction conditions in an in situ scanning tunneling microscope.

Graphical abstract: Gold oxide formation on Au(111) under CO oxidation conditions at room temperature
Open Access Paper

Simulation of the non-adiabatic dynamics of an enone-Lewis acid complex in an explicit solvent

Lewis acid catalysis is a promising tool in photochemistry. Thus, the ultrafast dynamics of a substrate-Lewis acid complex is investigated in silico, which reveals an intriguing dissociation–reassociation mechanism.

Graphical abstract: Simulation of the non-adiabatic dynamics of an enone-Lewis acid complex in an explicit solvent
Open Access Paper

Moisture changes inside hydrogel particles during their drying process investigated with fluorescence lifetime imaging

Fluorescence lifetime imaging was used to follow the drying process of microgels from their swollen state to their dry state at different air humidities.

Graphical abstract: Moisture changes inside hydrogel particles during their drying process investigated with fluorescence lifetime imaging
11 items

About this collection

This themed collection of Physical Chemistry Chemical Physics (PCCP) is devoted to the 123rd Bunsen-Tagung meeting which took place on 25th - 27th March 2024 in Aachen, Germany, in collaboration with the Deutsche Bunsen-Gesellschaft für Physikalische Chemie (DBG).

The DBG and the organizing committee of this year’s Bunsen-Tagung are pleased to showcase recent research either on the main topic of high-resolution structural methods in material and life sciences, or on general physical chemistry.

This themed collection is Guest Edited by Sarah Köster (Georg-August-University Göttingen), Melanie Schnell (Christian-Albrechts-Universität zu Kiel, Deutsches Elektronen-Synchrotron), Walter Richtering (RWTH Aachen University) and Dominik Wöll (RWTH Aachen University).

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