Spectroscopic and theoretical studies of transition metal oxides and dioxygen complexes

Y Gong, M Zhou, L Andrews - Chemical reviews, 2009 - ACS Publications
Dioxygen binding and activation at metal centers are of major importance in a wide range of
catalytic and biological processes. Metal oxides and dioxygen complexes are potential …

Resonance Raman and surface-and tip-enhanced Raman spectroscopy methods to study solid catalysts and heterogeneous catalytic reactions

H Kim, KM Kosuda, RP Van Duyne… - Chemical Society Reviews, 2010 - pubs.rsc.org
Resonance Raman (RR) spectroscopy has several advantages over the normal Raman
spectroscopy (RS) widely used for in situ characterization of solid catalysts and catalytic …

Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted‐Acid Sites in the Zeolite H‐MFI

H Windeck, F Berger, J Sauer - … Chemie International Edition, 2023 - Wiley Online Library
The location of Brønsted‐acid sites (bridging OH groups, b‐OH) at different crystallographic
positions of zeolite catalysts influences their reactivity due to varying confinement. Selecting …

Doping effects in cluster‐mediated bond activation

H Schwarz - Angewandte Chemie International Edition, 2015 - Wiley Online Library
Gas‐phase investigations of judiciously doped oxide clusters permit to address fundamental
challenges related to, for example, the low‐temperature oxidation of CO or the selective …

Mass‐selective vibrational spectroscopy of vanadium oxide cluster ions

KR Asmis, J Sauer - Mass spectrometry reviews, 2007 - Wiley Online Library
A corner stone in the study of the size‐dependent properties of cluster ions in the gas phase
is their structural characterization. Over the last 10 years, significant progress has been in …

Clusters as model systems for investigating nanoscale oxidation catalysis

GE Johnson, R Mitrić, V Bonačić-Koutecký… - Chemical Physics …, 2009 - Elsevier
Gas-phase cluster reactivity experiments, combined with theoretical calculations, provide
insight into how factors such as size, stoichiometry and charging effects influence reactions …

Structure characterization of metal oxide clusters by vibrational spectroscopy: possibilities and prospects

KR Asmis - Physical Chemistry Chemical Physics, 2012 - pubs.rsc.org
This article summarizes the methodological progress that has been made in the vibrational
spectroscopy of isolated polynuclear metal oxide clusters, with particular emphasis on free …

Structure determination of neutral MgO clusters—hexagonal nanotubes and cages

M Haertelt, A Fielicke, G Meijer, K Kwapien… - Physical Chemistry …, 2012 - pubs.rsc.org
Structural information for neutral magnesium oxide clusters has been obtained by a
comparison of their experimental vibrational spectra with predictions from theory.(MgO) n …

[HTML][HTML] Transition metal oxide clusters with character of oxygen-centered radical: a DFT study

YX Zhao, XL Ding, YP Ma, ZC Wang, SG He - Theoretical Chemistry …, 2010 - Springer
Density functional theory (DFT) calculations are applied to study the structure and bonding
properties of groups 3–7 transition metal oxide clusters M x= 1–3 O yq and Sc x= 4–6 O yq …

Influence of charge state on catalytic oxidation reactions at metal oxide clusters containing radical oxygen centers

GE Johnson, R Mitric, M Nössler, EC Tyo… - Journal of the …, 2009 - ACS Publications
Evidence obtained by guided-ion-beam mass spectrometry experiments and density
functional theory calculations indicates that by adding one oxygen atom with a full octet of …