Helium tagging infrared photodissociation spectroscopy of reactive ions
J Roithová, A Gray, E Andris, J Jasik… - Accounts of Chemical …, 2016 - ACS Publications
Conspectus The interrogation of reaction intermediates is key for understanding chemical
reactions; however their direct observation and study remains a considerable challenge …
reactions; however their direct observation and study remains a considerable challenge …
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine
C Aieta, M Micciarelli, G Bertaina, M Ceotto - Nature communications, 2020 - nature.com
The interpretation of molecular vibrational spectroscopic signals in terms of atomic motion is
essential to understand molecular mechanisms and for chemical characterization. The …
essential to understand molecular mechanisms and for chemical characterization. The …
Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H+(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and …
CH Duong, O Gorlova, N Yang… - The journal of …, 2017 - ACS Publications
Vibrational spectroscopy of the protonated water trimer provides a stringent constraint on the
details of the potential energy surface (PES) and vibrational dynamics governing excess …
details of the potential energy surface (PES) and vibrational dynamics governing excess …
Spectroscopic characterization and reactivity of triplet and quintet iron (IV) oxo complexes in the gas phase
Closely structurally related triplet and quintet iron (IV) oxo complexes with a tetradentate
aminopyridine ligand were generated in the gas phase, spectroscopically characterized …
aminopyridine ligand were generated in the gas phase, spectroscopically characterized …
[HTML][HTML] Molecular hydrogen messengers can lead to structural infidelity: A cautionary tale of protonated glycine
The effects of tagging protonated glycine with either He or between 1 and 14 H 2 molecules
on the infrared photodissociation spectra and the ion structure were investigated …
on the infrared photodissociation spectra and the ion structure were investigated …
[HTML][HTML] Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective
Superfluid helium has not only fascinated scientists for centuries but is also the ideal matrix
for the investigation of chemical systems under ultra-cold conditions in helium nanodroplet …
for the investigation of chemical systems under ultra-cold conditions in helium nanodroplet …
Hydrogen bond network structures of protonated short-chain alcohol clusters
A Fujii, N Sugawara, PJ Hsu, T Shimamori… - Physical Chemistry …, 2018 - pubs.rsc.org
Because of the hydrogen bond coordination properties of alcohols, their possible hydrogen
bond network structures are categorized into only a few types. Therefore, gas phase clusters …
bond network structures are categorized into only a few types. Therefore, gas phase clusters …
Deciphering the impact of helium tagging on flexible molecules: probing microsolvation effects of protonated acetylene by quantum configurational entropy
R Beckmann, R Topolnicki, D Marx - The Journal of Physical …, 2023 - ACS Publications
Helium, the lightest and most weakly interacting noble gas, is well-known for its
unsurpassed chemical inertness. In many applications of helium in experimental techniques …
unsurpassed chemical inertness. In many applications of helium in experimental techniques …
Formation of Oxazoles from Elusive Gold (I) α‐Oxocarbenes: A Mechanistic Study
J Schulz, J Jašík, A Gray… - Chemistry–A European …, 2016 - Wiley Online Library
The gold (I) catalyzed reaction between phenylacetylene, pyridine N‐oxide and acetonitrile
leading, via a putative gold‐α‐oxocarbene intermediate, towards an oxazole product has …
leading, via a putative gold‐α‐oxocarbene intermediate, towards an oxazole product has …
Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2–
CT Wolke, AF DeBlase, CM Leavitt… - The Journal of …, 2015 - ACS Publications
To understand how the D 2 d oxalate scaffold (C2O4) 2–distorts upon capture of a proton,
we report the vibrational spectra of the cryogenically cooled HO2CCO2–anion and its …
we report the vibrational spectra of the cryogenically cooled HO2CCO2–anion and its …