Assignment of IR spectra of ethanol at Brønsted sites of H-ZSM-5 to monomer adsorption using a Fermi resonance model.

Understanding how alcohol molecules interact with the Brønsted acid sites (BAS) of zeolites is a prerequisite to the design of zeolite catalysts and catalytic processes. Here, we report IR spectra for the adsorption of ethanol on a highly crystalline sample of H-ZSM-5 zeolites exposed to ethanol gas at increasing pressure. We use density functional theory in combination with a FERMI resonance model to assign the measured spectra to a single adsorbed ethanol molecule per BAS.

Synthesis of a mixed-linker Ce-UiO-67 metal-organic framework.

Ce-based metal-organic frameworks (MOFs) have recently gained scientific interest, since Ce is the most abundant rare-earth element in the Earth's crust and since their synthesis has some advantages, including first of all their redox activity, the high porosity of these crystalline materials, and Ce availability. In particular, Ce(iv)-based MOFs, such as Ce-UiO-66 and Ce-UiO-67, are synthesised under mild conditions. For most applications, the presence of functional groups in the frameworks is needed; in this context, linkers containing N-functionalities have been highlighted, as they allow for the incorporation of a large variety of metal cations.

Quantitative localisation of titanium in the framework of titanium silicalite-1 using anomalous X-ray powder diffraction.

One of the biggest obstacles to developing better zeolite-based catalysts is the lack of methods for quantitatively locating light heteroatoms on the T-sites in zeolites. Titanium silicalite-1 (TS-1) is a Ti-bearing zeolite-type catalyst commonly used in partial oxidation reactions with HO, such as aromatic hydroxylation and olefin epoxidation. The reaction mechanism is controlled by the configuration of titanium sites replacing silicon in the zeolite framework, but these sites remain unknown, hindering a fundamental understanding of the reaction.

An anthropocene-framed transdisciplinary dialog at the chemistry-energy nexus.

At the energy-chemistry nexus, key molecules include carbon dioxide (CO), hydrogen (H), methane (CH), and ammonia (NH). The position of these four molecules and that of the more general family of synthetic macromolecular polymer blends (found in plastics) were cross-analyzed with the planetary boundary framework, and as part of five scientific policy roadmaps for the energy transition. According to the scenarios considered, the use of some of these molecular substances will be drastically modified in the coming years.

Deciphering Local Structural Complexity in Zn/Ga-ZrO CO Hydrogenation Catalysts.

In the last few decades, massive effort has been expended in heterogeneous catalysis to develop new materials presenting high conversion, selectivity, and stability even under high-temperature and high-pressure conditions. In this context, CO hydrogenation is an interesting reaction where the catalyst local structure is strongly related to the development of an active and stable material under hydrothermal conditions at / > 300 °C/30 bar. In order to clarify the relationship between catalyst local ordering and its activity/stability, we herein report a combined laboratory and synchrotron investigation of aliovalent element (Ce/Zn/Ga)-containing ZrO matrixes.