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


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.
Phys. Chem. Chem. Phys., 2025, Advance Article
https://doi.org/10.1039/D5CP00275C

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.
Phys. Chem. Chem. Phys., 2025, Advance Article
https://doi.org/10.1039/D4CP04498C

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.
Phys. Chem. Chem. Phys., 2025,27, 4746-4755
https://doi.org/10.1039/D4CP04477K

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.
Phys. Chem. Chem. Phys., 2025,27, 4316-4327
https://doi.org/10.1039/D4CP03904A
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.
Phys. Chem. Chem. Phys., 2025,27, 1366-1377
https://doi.org/10.1039/D4CP04294H

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.
Phys. Chem. Chem. Phys., 2024,26, 27912-27921
https://doi.org/10.1039/D4CP03004D

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.
Phys. Chem. Chem. Phys., 2024,26, 26976-26983
https://doi.org/10.1039/D4CP03203A

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.
Phys. Chem. Chem. Phys., 2024,26, 26363-26369
https://doi.org/10.1039/D4CP03270E

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.
Phys. Chem. Chem. Phys., 2024,26, 23623-23630
https://doi.org/10.1039/D4CP00611A

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.
Phys. Chem. Chem. Phys., 2024,26, 23256-23263
https://doi.org/10.1039/D4CP02492C

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.
Phys. Chem. Chem. Phys., 2024,26, 23250-23255
https://doi.org/10.1039/D4CP02684E
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).