How and why do cluster size, charge state, and ligands affect the course of metal‐mediated gas‐phase activation of methane?
H Schwarz - Israel Journal of Chemistry, 2014 - Wiley Online Library
Recent progress in the gas‐phase activation of methane is discussed. We demonstrate that
cluster size, charge state, and ligands crucially affect both the reactivity and selectivity of …
cluster size, charge state, and ligands crucially affect both the reactivity and selectivity of …
Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry
H Schwarz - Catalysis Science & Technology, 2017 - pubs.rsc.org
This review provides an overview and an update on how single-atom catalysis can be
achieved at a strictly molecular level by performing well-designed gas-phase experiments …
achieved at a strictly molecular level by performing well-designed gas-phase experiments …
Thermal Methane Conversion to Formaldehyde Promoted by Single Platinum Atoms in PtAl2O4− Cluster Anions
YX Zhao, ZY Li, Z Yuan, XN Li… - Angewandte Chemie …, 2014 - Wiley Online Library
Identification and mechanistic study of thermal methane conversion mediated by gas‐phase
species is important for finding potentially useful routes for direct methane transformation …
species is important for finding potentially useful routes for direct methane transformation …
[图书][B] Computational Methods in Organometallic Catalysis: From Elementary Reactions to Mechanisms
Y Lan - 2021 - books.google.com
Computational Methods in Organometallic Catalysis Discover recent advances in the
mechanistic study of organometallic catalysis In Computational Methods in Organometallic …
mechanistic study of organometallic catalysis In Computational Methods in Organometallic …
Old School Techniques with Modern Capabilities: Kinetics Determination of Dynamical Information Such as Barriers, Multiple Entrance Channel Complexes, Product …
SG Ard, AA Viggiano, NS Shuman - The Journal of Physical …, 2021 - ACS Publications
We show how the powerful combination of temperature-dependent kinetics coupled with
detailed statistical modeling can be used to derive dynamical information about transition …
detailed statistical modeling can be used to derive dynamical information about transition …
Unifying exchange sensitivity in transition-metal spin-state ordering and catalysis through bond valence metrics
Accurate predictions of spin-state ordering, reaction energetics, and barrier heights are
critical for the computational discovery of open-shell transition-metal (TM) catalysts …
critical for the computational discovery of open-shell transition-metal (TM) catalysts …
Gold(III) Mediated Activation and Transformation of Methane on Au1-Doped Vanadium Oxide Cluster Cations AuV2O6+
ZY Li, HF Li, YX Zhao, SG He - Journal of the American Chemical …, 2016 - ACS Publications
Gold in the+ III oxidation state (AuIII) has been proposed as a promising species to mediate
challenging chemical reactions. However, it is difficult to characterize the chemistry of …
challenging chemical reactions. However, it is difficult to characterize the chemistry of …
Room-Temperature Conversion of Methane to Methanediol by [FeO2]+
M Guo, S Zhou, X Sun - The Journal of Physical Chemistry Letters, 2023 - ACS Publications
Inspired by the activities of P-450 enzyme and Rieske oxygenases in nature, in which the
high-valent Fe–oxo complexes play a key role for oxidation of alkanes, the oxidation process …
high-valent Fe–oxo complexes play a key role for oxidation of alkanes, the oxidation process …
Reaction of Mass-Selected, Thermalized VnOm+ Clusters with CCl4
BC Sweeny, SG Ard, AA Viggiano… - The Journal of Physical …, 2019 - ACS Publications
The kinetics of V n O m++ CCl4 (n, m= 2, 5; 3, 6–8; 4, 9–11; 5, 12–13) have been measured
under thermal conditions using a selected-ion flow tube equipped with a laser vaporization …
under thermal conditions using a selected-ion flow tube equipped with a laser vaporization …
Thermal Conversion of Methane to Formaldehyde Promoted by Gold in AuNbO3+ Cluster Cations
LN Wang, ZX Zhou, XN Li, TM Ma… - Chemistry–A European …, 2015 - Wiley Online Library
In addition to generation of a methyl radical, formation of a formaldehyde molecule was
observed in the thermal reaction of methane with AuNbO3+ heteronuclear oxide cluster …
observed in the thermal reaction of methane with AuNbO3+ heteronuclear oxide cluster …