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 …

Exceptionally long covalent CC bonds—A local vibrational mode study

AAA Delgado, A Humason, R Kalescky, M Freindorf… - Molecules, 2021 - mdpi.com
For decades one has strived to synthesize a compound with the longest covalent C− C bond
applying predominantly steric hindrance and/or strain to achieve this goal. On the other …

[HTML][HTML] Infrared spectroscopy of ions and ionic clusters upon ionization of ethane in helium droplets

S Erukala, AJ Feinberg, CJ Moon, MY Choi… - The Journal of …, 2022 - pubs.aip.org
Helium droplets are unique hosts for isolating diverse molecular ions for infrared
spectroscopic experiments. Recently, it was found that electron impact ionization of ethylene …

Photoinduced C–H bond fission in prototypical organic molecules and radicals

MNR Ashfold, RA Ingle, TNV Karsili… - Physical Chemistry …, 2019 - pubs.rsc.org
Recent experimental and computational advances have heralded huge progress in the
range and the detail of the database pertaining to photoinduced C–H bond fission …

Ammonia Borane, NH3BH3: A Threshold Photoelectron–Photoion Coincidence Study of a Potential Hydrogen‐Storage Material

D Schleier, M Gerlach… - … A European Journal, 2022 - Wiley Online Library
We have investigated the photoionization of ammonia borane (AB) and determined
adiabatic ionization energy to be 9.26±0.03 eV for the X+ 2E← X 1A1 transition. Although …

Ultraviolet photochemistry of ethane: implications for the atmospheric chemistry of the gas giants

Y Chang, J Yang, Z Chen, Z Zhang, Y Yu, Q Li… - Chemical …, 2020 - pubs.rsc.org
Chemical processing in the stratospheres of the gas giants is driven by incident vacuum
ultraviolet (VUV) light. Ethane is an important constituent in the atmospheres of the gas …

Unexpected reversal of stability in strained systems containing one-electron bonds

F Fantuzzi, W Wolff, HM Quitián-Lara… - Physical Chemistry …, 2019 - pubs.rsc.org
Ring strain energy is a very well documented feature of neutral cycloalkanes, and influences
their structural, thermochemical and reactivity properties. In this work, we apply density …

Precise determination of adiabatic ionisation energies of large polyatomic molecules: p-diaminobenzene

JR Schmitz, U Hollenstein, F Merkt - Molecular Physics, 2023 - Taylor & Francis
We present a procedure, based on established principles, to accurately determine the
ionisation energies of medium-sized to large polyatomic molecules in supersonic beams …

Important components for accurate hyperfine coupling constants: electron correlation, dynamic contributions, and solvation effects

S Vogler, JCB Dietschreit, LDM Peters… - Molecular …, 2020 - Taylor & Francis
The calculation of hyperfine coupling constants is a challenging task in balancing accuracy
and computational effort. While previous work has shown the importance of electron …

STARGATE: A new instrument for high-resolution photodissociation spectroscopy of cold ionic species

R Bejjani, A Roucou, X Urbain, K Moshkunov… - Review of Scientific …, 2021 - pubs.aip.org
Spectroscopy of transient anions and radicals by gated and accelerated time-of-flight
experiment is a new spectrometer developed in UCLouvain. This instrument measures high …