Gas-phase reaction of CeVO5+ cluster ions with C2H4: the reactivity of cluster bonded peroxides

2015 ◽  
Vol 44 (7) ◽  
pp. 3128-3135 ◽  
Author(s):  
Jia-Bi Ma ◽  
Jing-Heng Meng ◽  
Sheng-Gui He
Keyword(s):  
Electronic Structure ◽  
Gas Phase ◽  
Closed Shell ◽  
Cluster Ions ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Metal Oxide Clusters ◽  
Transition Metal Oxide Clusters ◽  
Hydrocarbon Molecules ◽  
First Time

The reactivity of the peroxide unit with hydrocarbon molecules on transition metal oxide clusters with a closed-shell electronic structure has been identified for the first time.

Hydrogenation of CO2 over 15% Fe/SiO2 Catalyst under Sub- and Supercritical Conditions

2018 ◽  
Vol 18 (4) ◽  
pp. 57-63
Author(s):  
N. D. Evdokimenko ◽  
K. O. Kim ◽  
G. I. Kapustin ◽  
N. A. Davshan ◽  
A. L. Kustov
Keyword(s):  
Gas Phase ◽  
Atmospheric Pressure ◽  
Iron Nanoparticles ◽  
Catalyst Surface ◽  
Phase Reaction ◽  
Supercritical Conditions ◽  
Gas Phase Reaction ◽  
Xrd Studies ◽  
First Time ◽  
Hydrogenation Of Co

The results of comparative studies of CO2hydrogenation over 15% Fe/SiO2catalyst under sub- and supercritical conditions are presented for the first time. The reaction was studied at 300–500 °C and atmospheric pressure in gas phase and at 95 atm under supercritical conditions. The molar H2: CO2ratio was 2 : 1. Under supercritical conditions, the selectivity to CO2decreased from 90–95 to 30–50 % at all temperatures, while the selectivity to hydrocarbons increased up to 60 %. The reaction under supercritical conditions, unlike gas-phase hydrogenation, produced alcohols. TG-DTG-DTA techniques were used to demonstrate 2.2-fold decrease in the quantity of carbon-like deposits in comparison to that in the gas-phase reaction. XRD studies revealed the formation of graphite-like species on the catalyst surface under gas-phase but not supercritical conditions. The developed process and catalyst for hydrogenation of CO2can be recommended to be further modified in order to improve the catalyst based on iron nanoparticles that is as expensive as 0.1–0.01 of the known catalysts for CO2hydrogenation.

Degradation mechanism of 2-fluoropropene by Cl atoms: experimental and theoretical products distribution studies

2021 ◽  
Author(s):  
Cynthia Rivela ◽  
Alejandro L. Cardona ◽  
Maria B Blanco ◽  
Ian Barnes ◽  
Martina Kieninger ◽  
...  
Keyword(s):  
Gas Phase ◽  
Quartz Glass ◽  
Atmospheric Pressure ◽  
Degradation Mechanism ◽  
Phase Reaction ◽  
Reaction Products ◽  
Gas Phase Reaction ◽  
Distribution Studies ◽  
First Time ◽  
Cl Atoms

The gas-phase reaction products of 2-fluoropropene (2FP) with Cl atoms has been determined for the first time at 298 K and atmospheric pressure using a 1080 L quartz-glass photoreactor coupled...

Prediction of Alkanolamine pKa Values by Combined Molecular Dynamics Free Energy Simulations and ab initio Calculations

2019 ◽  
Author(s):  
Javad Noroozi ◽  
William Smith
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Ab Initio Calculations ◽  
Gas Phase ◽  
Quantum Chemical ◽  
Phase Reaction ◽  
Pka Values ◽  
Gas Phase Reaction ◽  
Reaction Free Energy ◽  
Energy Simulations

We use molecular dynamics free energy simulations in conjunction with quantum chemical calculations of gas phase reaction free energy to predict alkanolamines pka values. <br>

Redox Potential - (Electronic) Structure Relationships in 18- and 17-Electron Mononitrile (or Monocarbonyl) Diphosphine Complexes of Re and Fe

2001 ◽  
Vol 66 (1) ◽  
pp. 139-154 ◽  
Author(s):  
M. Fátima C. Guedes Da Silva ◽  
Luísa M. D. R. S. Martins ◽  
João J. R. Fraústo Da Silva ◽  
Armando J. L. Pombeiro
Keyword(s):  
Cyclic Voltammetry ◽  
Electronic Structure ◽  
Binding Sites ◽  
Closed Shell ◽  
Carbonyl Complexes ◽  
Metal Centre ◽  
Pt Electrode ◽  
Metal Site ◽  
Oxidation Potentials ◽  
First Time

The organonitrile or carbonyl complexes cis-[ReCl(RCN)(dppe)2] (1) (R = 4-Et2NC6H4 (1a), 4-MeOC6H4 (1b), 4-MeC6H4 (1c), C6H5 (1d), 4-FC6H4 (1e), 4-ClC6H4 (1f), 4-O2NC6H4 (1g), 4-ClC6H4CH2 (1h), t-Bu (1i); dppe = Ph2PCH2CH2PPh2), or cis-[ReCl(CO)(dppe)2] (2), as well as trans-[FeBr(RCN)(depe)2]BF4 (3) (R = 4-MeOC6H4 (3a), 4-MeC6H4 (3b), C6H5 (3c), 4-FC6H4 (3d), 4-O2NC6H4 (3e), Me (3f), Et (3g), 4-MeOC6H4CH2 (3h); depe = Et2PCH2CH2PEt2), novel trans-[FeBr(CO)(depe)2]BF4 (4) and trans-[FeBr2(depe)2] (5) undergo, as revealed by cyclic voltammetry at a Pt-electrode and in aprotic non-aqueous medium, two consecutive reversible or partly reversible one-electron oxidations assigned as ReI → ReII → ReIII or FeII → FeIII → FeIV. The corresponding values of the oxidation potentials IE1/2ox and IIE1/2ox (waves I and II, respectively) correlate with the Pickett's and Lever's electrochemical ligand and metal site parameters. This allows to estimate these parameters for the various nitrile ligands, depe and binding sites (for the first time for a FeIII/IV couple). The electrochemical ligand parameter show dependence on the "electron-richness" of the metal centre. The values of IE1/2ox for the ReI complexes provide some supporting for a curved overall relationship with the sum of Lever's electrochemical ligand parameter. The Pickett parametrization for closed-shell complexes is extended now also to 17-electron complexes, i.e. with the 15-electron ReII and FeIII centres in cis-{[ReCl(dppe)2]}+ and trans-{FeBr(depe)2}2+, respectively.

Metabolic alteration of Methylococcus capsulatus str. Bath during a microbial gas-phase reaction

2021 ◽  
Vol 330 ◽  
pp. 125002
Author(s):  
Yan-Yu Chen ◽  
Yuki Soma ◽  
Masahito Ishikawa ◽  
Masatomo Takahashi ◽  
Yoshihiro Izumi ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Reaction ◽  
Methylococcus Capsulatus ◽  
Gas Phase Reaction ◽  
Metabolic Alteration

scholarly journals Influence of Water on the Gas-Phase Reaction of Dimethyl Sulfide with BrO in the Marine Boundary Layer

ACS Omega ◽  
2021 ◽  
Vol 6 (3) ◽  
pp. 2410-2419
Author(s):  
Junyao Li ◽  
Narcisse T. Tsona ◽  
Shanshan Tang ◽  
Xiuhui Zhang ◽  
Lin Du
Keyword(s):  
Boundary Layer ◽  
Gas Phase ◽  
Dimethyl Sulfide ◽  
Marine Boundary Layer ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Influence Of Water

Preparation of SiC hollow particles by gas-phase reaction in the SiH4-CH4-H2 system

1989 ◽  
Vol 24 (10) ◽  
pp. 3679-3685 ◽  
Author(s):  
C. H. Pai ◽  
K. Koumoto ◽  
S. Takeda ◽  
H. Yanagida
Keyword(s):  
Gas Phase ◽  
Phase Reaction ◽  
Hollow Particles ◽  
Gas Phase Reaction

scholarly journals Fabrication and Particle Size Control of Oxide Nanoparticles by Gas Phase Reaction Assisted with DC Plasma

2007 ◽  
Vol 44 (6) ◽  
pp. 447-452 ◽  
Author(s):  
Akira Watanabe ◽  
Motoharu Fujii ◽  
Masayoshi Kawahara ◽  
Takehisa Fukui ◽  
Kiyoshi Nogi
Keyword(s):  
Particle Size ◽  
Gas Phase ◽  
Size Control ◽  
Oxide Nanoparticles ◽  
Phase Reaction ◽  
Dc Plasma ◽  
Gas Phase Reaction ◽  
Particle Size Control

Formation of Carbamate Anions by the Gas-phase Reaction of Anilide Ions with CO2

2016 ◽  
Vol 27 (5) ◽  
pp. 927-939 ◽  
Author(s):  
Chongming Liu ◽  
Upul Nishshanka ◽  
Athula B. Attygalle
Keyword(s):  
Gas Phase ◽  
Phase Reaction ◽  
Gas Phase Reaction
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