New analytical tools for advanced mechanistic studies in catalysis: photoionization and photoelectron photoion coincidence spectroscopy

P Hemberger, JA van Bokhoven… - Catalysis Science & …, 2020 - pubs.rsc.org
What are the reaction mechanisms responsible for the selective product formation in
catalysis? How can we identify the reactive intermediates steering the reaction towards the …

Photoelectron spectroscopy in molecular physical chemistry

I Fischer, ST Pratt - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Photoelectron spectroscopy has long been a powerful method in the toolbox of experimental
physical chemistry and molecular physics. Recent improvements in coincidence methods …

[HTML][HTML] CRF-PEPICO: Double velocity map imaging photoelectron photoion coincidence spectroscopy for reaction kinetics studies

B Sztáray, K Voronova, KG Torma, KJ Covert… - The Journal of …, 2017 - pubs.aip.org
Photoelectron photoion coincidence (PEPICO) spectroscopy could become a powerful tool
for the time-resolved study of multi-channel gas phase chemical reactions. Toward this goal …

Continuous pyrolysis microreactors: Hot sources with little cooling? New insights utilizing cation velocity map imaging and threshold photoelectron spectroscopy

P Hemberger, X Wu, Z Pan, A Bodi - The Journal of Physical …, 2022 - ACS Publications
Resistively heated silicon carbide microreactors are widely applied as continuous sources to
selectively prepare elusive and reactive intermediates with astrochemical, catalytic, or …

Advances in threshold photoelectron spectroscopy (TPES) and threshold photoelectron photoion coincidence (TPEPICO)

T Baer, RP Tuckett - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
The history and evolution of molecular threshold photoelectron spectroscopy and threshold
photoelectron photoion coincidence spectroscopy (TPEPICO) over the last fifty years are …

A new double imaging velocity focusing coincidence experiment: i2PEPICO

A Bodi, P Hemberger, T Gerber… - Review of Scientific …, 2012 - pubs.aip.org
The vacuum ultraviolet (VUV) beamline of the Swiss Light Source has been upgraded after
two years of operation. A new, turntable-type monochromator was constructed at the Paul …

Mechanism of fast pyrolysis of lignin: studying model compounds

VBF Custodis, P Hemberger, Z Ma… - The Journal of …, 2014 - ACS Publications
Fast pyrolysis of lignin is one of the most promising methods to convert the complex and
irregular structure of lignin into renewable chemicals and fuel. During pyrolysis the complex …

Five-membered ring compounds from the ortho-benzyne + methyl radical reaction under interstellar conditions

J Bouwman, MN McCabe, CN Shingledecker… - Nature …, 2023 - nature.com
Reactive open-shell species, such as radicals and biradicals, are key intermediates in the
formation of (poly) cyclic hydrocarbon species in a variety of interstellar environments …

How to compute electron ionization mass spectra from first principles

CA Bauer, S Grimme - The Journal of Physical Chemistry A, 2016 - ACS Publications
The prediction of electron ionization (EI) mass spectra (MS) from first principles has been a
major challenge for quantum chemistry (QC). The unimolecular reaction space grows rapidly …

Elucidating the thermal decomposition of dimethyl methylphosphonate by vacuum ultraviolet (VUV) photoionization: pathways to the PO radical, a key species in flame …

S Liang, P Hemberger, NM Neisius… - … A European Journal, 2015 - Wiley Online Library
The production of phosphoryl species (PO, PO2, HOPO) is believed to be of great
importance for efficient flame‐retardant action in the gas phase. We present a detailed …