Michel Molinier

Bio: Michel Molinier is an academic researcher from ExxonMobil. The author has contributed to research in topics: Crystal structure & Catalysis. The author has an hindex of 16, co-authored 52 publications receiving 623 citations. Previous affiliations of Michel Molinier include Delphi Automotive & University of Marburg.

Exhaust treatment device

Abstract: An exhaust treatment device for treating an exhaust gas stream combines the functionalities of a catalytic particulate filter and a NOx absorber catalyst into a single integral device and is disposed in an exhaust conduit. By combining the functionalities of the catalytic particulate filter and a NO x absorber catalyst into a single integral device, the exhaust treatment device eliminates the temperature losses inherent to the heat capacity of one catalytic device placed in front of the other.

Process for the production of xylenes

Abstract: In a process for producing para-xylene, a toluene-containing stream is contacted with a methylating agent under conditions effective to convert toluene to xylenes and produce a methylated effluent stream. Para-xylene is recovered from the methylated effluent stream to produce a para-xylene depleted stream and part of the para-xylene depleted stream is contacted with a xylene isomerization catalyst under liquid phase isomerization conditions effective to produce a first isomerized stream, while part of the para-xylene depleted stream is contacted with a xylene isomerization catalyst under vapor phase isomerization conditions effective to produce a second isomerized stream. The first and second isomerized streams are then recycled to the para-xylene recovery step.

Method for sulfur protection of NOx adsorber

Abstract: A NO x adsorber is protected from sulfur poisoning by introducing fuel to the NO x adsorber prior to a sulfur trap and/or particulate trap regeneration stream entering the NO x adsorber. The fuel establishes a rich environment, thereby inhibiting sulfur adsorption in the NO x adsorber.

Magnetic metal-organic frameworks.

Abstract: The purpose of this critical review is to give a representative and comprehensive overview of the arising developments in the field of magnetic metal–organic frameworks, in particular those containing cobalt(II). We examine the diversity of magnetic exchange interactions between nearest-neighbour moment carriers, covering from dimers to oligomers and discuss their implications in infinite chains, layers and networks, having a variety of topologies. We progress to the different forms of short-range magnetic ordering, giving rise to single-molecule-magnets and single-chain-magnets, to long-range ordering of two- and three-dimensional networks (323 references).

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Transition Metal-Mediated Cycloaddition Reactions

Abstract: 5.7. [32π + 32σ] Cycloadditions 74 5.8. [44π + 22π] Cycloadditions 75 6. Seven-Membered Ring Formation 78 6.1. [44π + 32σ] Cycloadditions 78 6.2. [52π+2σ + 22π] Cycloadditions 79 7. Eight-Membered Ring Formation 79 7.1. [22π + 22π + 22π + 22π] Cycloadditions 80 7.2. [44π + 22π + 22π] Cycloadditions 80 7.3. [44π + 44π] Cycloadditions 81 7.4. [66π + 22π] Cycloadditions 83 8. Ten-Membered Ring Formation 85 9. Conclusion and Remarks 87

Selective Hydrogenation over Supported Metal Catalysts: From Nanoparticles to Single Atoms

Abstract: Selective catalytic hydrogenation has wide applications in both petrochemical and fine chemical industries, however, it remains challenging when two or multiple functional groups coexist in the substrate. To tackle this challenge, the "active site isolation" strategy has been proved effective, and various approaches to the site isolation have been developed. In this review, we have summarized these approaches, including adsorption/grafting of N/S-containing organic molecules on the metal surface, partial covering of active metal surface by metal oxides either via doping or through strong metal-support interaction, confinement of active metal nanoparticles in micro- or mesopores of the supports, formation of bimetallic alloys or intermetallics or core@shell structures with a relatively inert metal (IB and IIB) or nonmetal element (B, C, S, etc.), and construction of single-atom catalysts on reducible oxides or inert metals. Both advantages and disadvantages of each approach toward the site isolation have been discussed for three types of chemoselective hydrogenation reactions, including alkynes/dienes to monoenes, α,β-unsaturated aldehydes/ketones to the unsaturated alcohols, and substituted nitroarenes to the corresponding anilines. The key factors affecting the catalytic activity/selectivity, in particular, the geometric and electronic structure of the active sites, are discussed with the aim to extract fundamental principles for the development of efficient and selective catalysts in hydrogenation as well as other transformations.