Techniques that can characterize the molecular structures of dilute surface species are required to facilitate rational synthesis and improvement Pt-based heterogeneous catalysts. 195Pt solid-state NMR spectroscopy could be an ideal tool for this task because isotropic chemical shifts shift anisotropy (CSA) highly sensitive probes local environment electronic structure. However, characterization Pt surface-sites is complicated by typical low loadings between 0.2 5 wt% broadening spectra CSA....

Single atom catalysts (SACs) have revolutionized the field of catalysis achieving an unprecedented level control and metal utilization for solid materials, approaching what is expected with molecular catalysts.1-3 Establishing structure-activity relationships their wide-ranging applications requires precise elucidation coordination environment, which remains a grand challenge.1,2 While electron microscopy reveals atomic dispersion, only average environments can be deduced from...

γ-Al2O3 is used as both catalyst or support for catalytic active phases. The properties of have been ascribed to specific surface sites, with varying Al coordination number, acidity and basicity, depending on the morphology material. Here, we combine surface-specific 27Al{1H} 2D high field NMR (28.2T, 1.2 GHz 1H frequency) at fast MAS (50kHz) observe four main distinct families Al-OH sites. Comparing measured signatures (27Al δiso, CQ δiso) computed values from a large range structural DFT...

Transition-metal hydrides (TMHs) find numerous applications across fields, from catalysis to H2 storage. Yet, determining the structure of TMHs can remain a challenge, as hydrogen is difficult detect by X-ray based or classical spectroscopic techniques. Considering that deuterium isotope (D) quadrupolar nucleus (I = 1) and coupling constant (CQ) depends on distance between D its bonding partner E (dED), we evaluate this trend molecularly-defined transition-metal deuterides (TMDs) through...

γ-Al2O3 is used as both catalyst or support for catalytic active phases. The properties of have been ascribed to specific surface sites, with varying Al coordination number, acidity and basicity, depending on the morphology material. Here, we combine surface-specific 27Al{1H} 2D high field NMR (28.2T, 1.2 GHz 1H frequency) at fast MAS (50kHz) observe four main distinct families Al-OH sites. Comparing measured signatures (27Al δiso, CQ δiso) computed values from a large range structural DFT...

γ-Al2O3 is used as both a catalyst and support for catalytic active phases. The properties of have been ascribed to specific surface sites, with varying Al coordination number, acidity, basicity, depending on the morphology material. Here, we combine surface-specific 27Al{1H} 2D high-field NMR (28.2T, 1.2 GHz 1H frequency) at fast MAS (50 kHz) observe four main distinct families Al–OH sites. Comparing measured signatures (27Al δiso, CQ, δiso) computed values from large range structural DFT...

N-heterocyclic carbenes (NHCs) have emerged as versatile ligands in organometallic chemistry, prized for their strong σ-donating and tunable electronic properties. They stabilize diverse motifs, well clusters, nanoparticles, particularly those based on the coin-age metals—Cu, Ag, Au. Importantly, carbene 13C NMR isotropic chemical shift (δiso) of NHC-coinage metal complexes varies significantly across these elements, reflecting nuanced interplay structural factors. Here, we investigate...

Advances in solid-state nuclear magnetic resonance (NMR) methods and hardware offer expanding opportunities for analysis of materials, interfaces, surfaces. Here, we demonstrate the application a very high field strength 28.2 T fast magic-angle-spinning rates (MAS, >40 kHz) to surface species relevant catalysis. Specifically, present as case studies 1D 2D NMR spectra important catalyst support ranging from well-defined silica-supported organometallic dehydroxylated γ-alumina zeolite solid...

Abstract Surface organometallic chemistry (SOMC) represents a unique synthetic platform for the preparation of model heterogeneous catalysts resembling those broadly applied in industry. SOMC techniques usually rely on grafting tailored molecular precursors onto surface OH groups oxide supports. The development such and understanding their reactivity with supports are therefore crucial well‐defined species. While large number early transition metals known, only few examples group‐10 metal...

Abstract Propane dehydrogenation is an important field of research due to increasing world‐wide demand propene while classical production routes through naphtha cracking are in decline. In that context, silica‐supported Ga(III) sites, synthesized from surface organometallic chemistry principles, show high selectivity and stability the propane reaction. This performance significant contrast reported fast deactivation lower most Ga 2 O 3 CrO based materials. The Ga‐catalyzed reaction proposed...

Single atom catalysts (SACs) have revolutionized the field of catalysis achieving an unprecedented level control and metal utilization for solid materials, approaching what is expected with molecular catalysts. Establishing structure-activity relationships their wide-ranging applications requires precise elucidation coordination environment, which remains a grand challenge. While electron microscopy reveals atomic dispersion, only average environments can be deduced from state-of-the-art...

<title>Abstract</title> Single atom catalysts (SACs) have revolutionized the field of catalysis achieving an unprecedented level control and metal utilization for solid materials, approaching what is expected with molecular catalysts.1-3 Establishing structure-activity relationships their wide-ranging applications requires precise elucidation coordination environment, which remains a grand challenge.1,2 While electron microscopy reveals atomic dispersion, only average environments can be...

Renewable liquid fuels are expected to play a crucial role in transitioning more sustainable future. Their synthesis via the hydrogenation of CO2 using solar energy emerges as promising technology, that combines both use renewable primary source and (re)utilization major greenhouse gas. In this context, GaN has attracted lot attention harnessing drive chemical transformations. work we study by 1H solid-state NMR spectroscopy, revealing presence terminal Ga-OH, bridging Ga–NH–Ga well Ga–OH–Ga...

γ-Al2O3 is used as both catalyst or support for catalytic active phases. The properties of have been ascribed to specific surface sites, with varying Al coordination number, acidity and basicity, depending on the morphology material. Here, we combine surface-specific 27Al{1H} 2D high field NMR (28.2T, 1.2 GHz 1H frequency) at fast MAS (50kHz) observe four main distinct families Al-OH sites. Comparing measured signatures (27Al δiso, CQ δiso) computed values from a large range structural DFT...

Techniques that can characterize the molecular structures of dilute surface species are required to facilitate rational synthesis and improvement single-site single-atom, such as important class Pt-based systems. In this context, 195Pt solid-state NMR spectroscopy could be an ideal tool for task because spectra sizeable chemical shift anisotropy (CSA) highly sensitive probes local environment electronic structure. However, broadening by CSA often results in low sensitivity. Furthermore,...

Abstract Supported metal hydrides are key reactive intermediates in various catalytic processes, such as hydrogenation and dehydrogenation, but often challenging to characterize spectroscopically. Here, deuterium solid state nuclear magnetic resonance spectroscopy is used understand the structure of corresponding silica‐supported zirconium after H/D exchange an illustrative example supported hydrides, which have been shown display notable reactivity towards small molecules ( e. g ., CO 2 N...