Refining the thermochemical properties of CF, SiF, and their cations by combining photoelectron spectroscopy, quantum chemical calculations, and the Active …

U Jacovella, B Ruscic, NL Chen, HL Le… - Physical Chemistry …, 2023 - pubs.rsc.org
Fluorinated species have a pivotal role in semiconductor material chemistry and some of
them have been detected beyond the Earth's atmosphere. Achieving good energy accuracy …

A solution for 4-propylguaiacol hydrodeoxygenation without ring saturation

Z Zhang, Q Li, X Wu, C Bourmaud, DG Vlachos… - Nature …, 2024 - nature.com
We investigate solvent effects in the hydrodeoxygenation of 4-propylguaiacol (4PG, 166
amu), a key lignin-derived monomer, over Ru/C catalyst by combined operando synchrotron …

Catalytic pyrolysis mechanism of lignin moieties driven by aldehyde, hydroxyl, methoxy, and allyl functionalization: the role of reactive quinone methide and ketene …

Z Pan, X Wu, A Bodi, JA van Bokhoven… - Green …, 2024 - pubs.rsc.org
The catalytic pyrolysis of guaiacol-based lignin monomers, vanillin, syringol, and eugenol
over commercial HZSM-5 has been investigated using operando Photoelectron Photoion …

Perspective, Review, and Featured Articles of 2023

EA Price, GV Hartland - The Journal of Physical Chemistry C, 2024 - ACS Publications
Perspectives, and Featured Articles. In this Collection we highlight some of the special
articles published in part C of The Journal of Physical Chemistry in 2023. These articles …

Conformer-Specific Photoelectron Spectroscopy of Carbonic Acid: H2CO3

K Kanayama, H Nakamura, K Maruta… - The Journal of …, 2024 - ACS Publications
Carbonic acid (H2CO3) is a fundamental species in biological, ecological, and astronomical
systems. However, its spectroscopic characterization is incomplete because of its reactive …

CO Cofeeding Affects Product Distribution in CH3Cl Coupling over ZSM‐5 Zeolite: Pressure Twists the Plot

Z Zhang, M Vanni, X Wu, P Hemberger… - Angewandte Chemie …, 2024 - Wiley Online Library
C1 coupling reactions over zeolite catalysts are central to sustainable chemical production
strategies. However, questions persist regarding the involvement of CO in ketene formation …

Electronic Spectrum of α-Hydrofulvenyl Radical (C6H7), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized …

J Flores, M Ruscitti, S Khani… - The Journal of Physical …, 2024 - ACS Publications
Using a combination of resonant two-photon two-color ionization (R2C2PI) and laser-
induced fluorescence/dispersed fluorescence spectroscopy, we have examined the A~ 2 A …

The elusive phenylethynyl radical and its cation: synthesis, electronic structure, and reactivity

G Karir, E Mendez-Vega, A Portela-Gonzalez… - Physical Chemistry …, 2024 - pubs.rsc.org
Alkynyl radicals and cations are crucial reactive intermediates in chemistry, but often evade
direct detection. Herein, we report the direct observation of the phenylethynyl radical …

Photoelectron spectrum and breakdown diagram of ethanolamine: conformers, excited states, and thermochemistry

S Kechoindi, A Bodi, M Hochlaf - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Advanced theoretical methodologies and photoelectron photoion coincidence spectroscopy
were used to investigate the photoionization of ethanolamine in the 8–18 eV energy range …

Enlightening salt: enthalpy of formation of gaseous sodium chloride by photoelectron photoion coincidence spectroscopy

X Wu, P Hemberger, A Bodi - Molecular Physics, 2024 - Taylor & Francis
An in-vacuum flash pyrolysis microreactor was used to seed a molecular beam with gaseous
sodium chloride. The vapour was ionised with tuneable synchrotron vacuum ultraviolet …