Quantum fundaments of catalysis: true electronic potential energy.

Catalysis is a quantum phenomenon enthalpically driven by electronic correlations with many-particle effects in all of its branches, including electro-photo-catalysis and electron transfer. This means that only probability amplitudes provide a complete relationship between the state of catalysis and observations. Thus, in any atomic system material), competing space-time electronic interactions coexist to define its (related) properties such as stability, (super)conductivity, magnetism (spin-orbital ordering), chemisorption and catalysis.

Experimental Evidences on Magnetism-Covalent Bonding Interplay in Structural Properties of Solids and during Chemisorption.

Valence electrons are one of the main players in solid catalysts and in catalytic reactions, since they are involved in several correlated phenomena like chemical bonding, magnetism, chemisorption, and bond activation. This is particularly true in the case of solid catalysts containing -transition metals, which exhibit a wide range of magnetic phenomena, from paramagnetism to collective behaviour. Indeed, the electrons of the outer -shells are, on one hand, involved in the formation of bonds within the structure of a catalyst and on its surface, and, on the other, they are accountable for the magnetic properties of the material.

Review on Magnetism in Catalysis: From Theory to PEMFC Applications of Metal Pt-Based Alloys.

The relationship between magnetism and catalysis has been an important topic since the mid-20th century. At present time, the scientific community is well aware that a full comprehension of this relationship is required to face modern challenges, such as the need for clean energy technology. The successful use of (para-)magnetic materials has already been corroborated in catalytic processes, such as hydrogenation, Fenton reaction and ammonia synthesis.

Magnetism and Heterogeneous Catalysis: In Depth on the Quantum Spin-Exchange Interactions in PtM (M = V, Cr, Mn, Fe, Co, Ni, and Y)(111) Alloys.

Bimetallic Pt-based alloys have drawn considerable attention in the last decades as catalysts in proton-exchange membrane fuel cells (PEMFCs) because they closely fulfill the two major requirements of high performance and good stability under operating conditions. PtFe, PtCo, and PtNi stand out as major candidates, given their good activity toward the challenging oxygen reduction reaction (ORR). The common feature across catalysts based on 3d-transition metals and their alloys is magnetism.

Ferromagnetic ligand holes in cobalt perovskite electrocatalysts as an essential factor for high activity towards oxygen evolution.

The definition of the interplay between chemical composition, electro-magnetic configuration and catalytic activity requires a rational study of the orbital physics behind active materials. Apart from Coulomb forces, quantum spin exchange interactions (QSEI) are part of the potentials that differentiate the activity of magnetic oxides, strongly correlated electrocatalysts, in electron transfer reactions. Ferromagnetic (FM) cobalt oxides can show low overpotentials for the oxygen evolution reaction (OER) and the La1-XSrXCoO3-δ (0 ≤ X ≤ 1) family of perovskites is good ground to gain understanding of the electronic interactions in strongly correlated catalysts.

Gold(I) Metallo-Tweezers for the Recognition of Functionalized Polycyclic Aromatic Hydrocarbons by Combined π-π Stacking and H-Bonding.

Two gold(I)-based metallo-tweezers with bis(Au-NHC) pincers and a carbazole connector have been obtained and used for the recognition of polycyclic aromatic hydrocarbons (PAHs). In the case of the tweezer with pyrene-NHC ligands, the presence of the pyrene fragment and the N-H bond in the carbazole linker enable the receptor to show significant enhanced binding abilities toward PAHs functionalized with H-bonding groups, through combined π-π stacking and H-bonding.