Carbon dioxide activation by discandium dioxide cations in the gas phase: a combined investigation of infrared photodissociation spectroscopy and DFT calculations

P Liu, J Han, Y Chen, S Lu, Q Su, X Zhou… - Physical Chemistry …, 2023 - pubs.rsc.org
We present a combined computational and experimental study of CO2 activation at the
Sc2O2+ metal oxide ion center in the gas phase. Density functional theory calculations on …

CO 2 activation by copper oxide clusters: size, composition, and charge state dependence

P Mikolaj, BZ Yusti, L Nyulászi, JM Bakker… - Physical Chemistry …, 2024 - pubs.rsc.org
The interaction of CO2 with copper oxide clusters of different size, composition, and charge
is investigated via infrared multiple-photon dissociation (IR-MPD) spectroscopy and density …

Spectroscopic investigation of size-dependent CO 2 binding on cationic copper clusters: analysis of the CO 2 asymmetric stretch

AM Reider, M Szalay, J Reichegger… - Physical Chemistry …, 2024 - pubs.rsc.org
Photofragmentation spectroscopy, combined with quantum chemical computations, was
employed to investigate the position of the asymmetric CO2 stretch in cold, He-tagged Cun …

Reverse water–gas shift catalyzed by Rh n VO 3, 4−(n= 3–7) cluster anions under variable temperatures

A Zhao, QY Liu, ZY Li, XN Li, SG He - Dalton Transactions, 2024 - pubs.rsc.org
A fundamental understanding of the exact structural characteristics and reaction
mechanisms of interface active sites is vital to engineering an energetic metal–support …