Recent advances in high-pressure infrared and NMR techniques for the determination of catalytically active species in rhodium- and cobalt-catalysed hydroformylation reactions

2004 ◽  
Vol 248 (21-24) ◽  
pp. 2393-2407 ◽  
Author(s):  
Llewellyn Damoense ◽  
Michael Datt ◽  
Mike Green ◽  
Casper Steenkamp
Keyword(s):  
High Pressure ◽  
Active Species ◽  
Recent Advances ◽  
Catalytically Active ◽  
Nmr Techniques

An ESR study of irradiated mixtures of hydrogen peroxide and Cu(II) complexes at 77 K

1988 ◽  
Vol 53 (12) ◽  
pp. 3080-3088 ◽  
Author(s):  
Pavel Stopka
Keyword(s):  
Hydrogen Peroxide ◽  
High Pressure ◽  
Catalytic Activity ◽  
Oxalic Acid ◽  
Hydroxyl Radicals ◽  
Room Temperature ◽  
Active Species ◽  
Mercury Lamp ◽  
Catalytically Active ◽  
High Concentrations

When aqueous solutions containing hydrogen peroxide and CuSO4 are irradiated by a high-pressure mercury lamp at room temperature and at 77 K, hydrogen peroxide decomposes and hydroxyl radicals generated in high concentrations coordinate to CuSO4. The catalytic activity of Cu(II), which depends on the choice of the ligand (triene, diene, ethylenediamine, ammonia, EDTA, oxalic acid and glycerine) and the proportion between the monomeric and dimeric forms of the Cu(II) complex, shows a maximum at a concentration of 10-4 mol dm-3. The catalytically active species is the monomeric Cu(II) complex, the dimer being inactive.

Single Crystal Growth of High-Pressure Phases of Ice and Salt Hydrate Far Below the Original Melting Point by Mixing Alcohol: Crystal Structure Determination of Magnesium Chloride Heptahydrate

2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Room Temperature ◽  
Growth Technique ◽  
Salt Hydrate ◽  
X Ray

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.

Sewage sludge as a precursor of adsorbents/catalysts for environmental applications

2007 ◽  
Vol 2 (1) ◽  
Author(s):  
A. Ros ◽  
C. Canals-Batlle ◽  
M.A. Lillo-Ródenas ◽  
E. Fuente ◽  
M. A. Montes-Morán ◽  
...  
Keyword(s):  
Sewage Sludge ◽  
Room Temperature ◽  
Waste Water Treatment ◽  
Textural Properties ◽  
Active Species ◽  
Elemental Sulphur ◽  
Gaseous Emissions ◽  
Removal Experiments ◽  
Catalytically Active

This paper focuses on the valorisation of solid residues obtained from the thermal treatment of sewage sludge. In particular, sewage sludge samples were collected from two waste water treatment plants (WWTPs) with different sludge line basic operations. After drying, sludges were heated up to 700 °C in appropriate ovens under diluted air (gasification) and inert (pyrolysis) atmospheres. The solids obtained, as well as the dried (raw) sludges, were characterised to determine their textural properties and chemical composition, including the speciation of their inorganic fraction. All the materials under study were employed as adsorbents/catalysts in H2S removal experiments at room temperature. It was found that, depending on the particular sludge characteristics, outstanding results can be achieved both in terms of retention capacities and selectivity. Some of the solids outperform commercially available sorbents specially designed for gaseous emissions control. In these adsorbents/catalysts, H2S is selectively oxidised to elemental sulphur most likely due to the presence of inorganic, catalytically active species. The role of the carbon-enriched part on these solids is also remarked.

Gradient-Enhanced Inverse-Detected NMR Techniquesfor Determination of 1H-15N Coupling Constants in 2,2-Dimethylpenta-3,4-dienal Derivatives

1997 ◽  
Vol 62 (11) ◽  
pp. 1747-1753 ◽  
Author(s):  
Radek Marek
Keyword(s):  
Double Bond ◽  
Chemical Shifts ◽  
Multiple Bond ◽  
Coupling Constants ◽  
Single Quantum ◽  
Nmr Techniques ◽  
Phase Sensitive ◽  
Heteronuclear Coupling

Determination of 15N chemical shifts and heteronuclear coupling constants of substituted 2,2-dimethylpenta-3,4-dienal hydrazones is presented. The chemical shifts were determined by gradient-enhanced inverse-detected NMR techniques and 1H-15N coupling constants were extracted from phase-sensitive gradient-enhanced single-quantum multiple bond correlation experiments. Stereospecific behaviour of the coupling constants 2J(1H,15N) and 1J(1H,13C) has been used to determine the configuration on a C=N double bond. The above-mentioned compounds exist predominantly as E isomers in deuteriochloroform.

scholarly journals New high-pressure phases of Fe7N3 and Fe7C3 stable at Earth's core conditions: evidences for carbon–nitrogen isomorphism in Fe-compounds

RSC Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 3577-3581 ◽  
Author(s):  
Nursultan Sagatov ◽  
Pavel N. Gavryushkin ◽  
Talgat M. Inerbaev ◽  
Konstantin D. Litasov
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Ab Initio ◽  
Structure Prediction ◽  
Harmonic Approximation ◽  
Crystal Structure Prediction ◽  
Earth’S Core ◽  
Earth's Core ◽  
Core Conditions

We carried out ab initio calculations on the crystal structure prediction and determination of P–T diagrams within the quasi-harmonic approximation for Fe7N3 and Fe7C3.

Probing the Catalytically Active Species in POM‐catalysed DNA‐model Hydrolysis

2021 ◽  
Author(s):  
Frederico F Martins ◽  
Ángel Sánchez-González ◽  
Jose Lanuza ◽  
Haralampos N. Miras ◽  
Xabier Lopez ◽  
...  
Keyword(s):  
Active Species ◽  
Catalytically Active

scholarly journals Shedding light on the nature of the catalytically active species in photocatalytic reactions using Bi2O3 semiconductor

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Paola Riente ◽  
Mauro Fianchini ◽  
Patricia Llanes ◽  
Miquel A. Pericàs ◽  
Timothy Noël
Keyword(s):  
Experimental Studies ◽  
Heterogeneous Photocatalysis ◽  
Active Species ◽  
Organic Transformations ◽  
Alkyl Bromides ◽  
Catalytically Active ◽  
Visible Light Driven ◽  
Photocatalytic Reactions ◽  
Insight Into ◽  
Photocatalytic Processes

AbstractThe importance of discovering the true catalytically active species involved in photocatalytic systems allows for a better and more general understanding of photocatalytic processes, which eventually may help to improve their efficiency. Bi2O3 has been used as a heterogeneous photocatalyst and is able to catalyze several synthetically important visible-light-driven organic transformations. However, insight into the operative catalyst involved in the photocatalytic process is hitherto missing. Herein, we show through a combination of theoretical and experimental studies that the perceived heterogeneous photocatalysis with Bi2O3 in the presence of alkyl bromides involves a homogeneous BinBrm species, which is the true photocatalyst operative in the reaction. Hence, Bi2O3 can be regarded as a precatalyst which is slowly converted in an active homogeneous photocatalyst. This work can also be of importance to mechanistic studies involving other semiconductor-based photocatalytic processes.

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