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Wednesday, September 15, 2021

09-15-2021-0254 - Magnetochemistry Electrochemistry

 

Magnetochemistry is concerned with the magnetic properties of chemical compounds. Magnetic properties arise from the spin and orbital angular momentum of the electrons contained in a compound. Compounds are diamagnetic when they contain no unpaired electrons. Molecular compounds that contain one or more unpaired electrons are paramagnetic. The magnitude of the paramagnetism is expressed as an effective magnetic moment, μeff. For first-row transition metals the magnitude of μeff is, to a first approximation, a simple function of the number of unpaired electrons, the spin-only formula. In general, spin-orbit coupling causes μeff to deviate from the spin-only formula. For the heavier transition metals, lanthanides and actinides, spin-orbit coupling cannot be ignored. Exchange interaction can occur in clusters and infinite lattices, resulting in ferromagnetismantiferromagnetism or ferrimagnetism depending on the relative orientations of the individual spins.

https://en.wikipedia.org/wiki/Magnetochemistry


Electrochemistry is the branch of physical chemistry concerned with the relationship between electrical potential, as a measurable and quantitative phenomenon, and identifiable chemical change, with either electrical potential as an outcome of a particular chemical change, or vice versa. These reactions involve electrons moving between electrodes via an electronically-conducting phase (typically, but not necessarily, an external electrical circuit such as in electrolessplating), separated by an ionically-conducting and electronically insulating electrolyte (or ionic species in a solution).

When a chemical reaction is effected by a potential difference, as in electrolysis, or if electrical potential results from a chemical reaction as in a battery or fuel cell, it is called an electrochemical reaction. Unlike chemical reactions, in electrochemical reactions electrons (and necessarily resulting ions), are not transferred directly between molecules, but via the aforementioned electronically- and ionically-conducting circuits, respectively. This phenomenon is what distinguishes an electrochemical reaction from a chemical reaction.[1]

https://en.wikipedia.org/wiki/Electrochemistry


The scientific school of Quantum electrochemistry began to form in the 1960s under Revaz Dogonadze. Generally speaking, the field comprises the notions arising in electrodynamicsquantum mechanics, and electrochemistry; and so is studied by a very large array of different professional researchers. The fields they reside in include, chemicalelectrical and mechanical engineeringchemistry and physics.

More specifically, quantum electrochemistry is the application of quantum mechanical tools such as density functional theory to the study of electrochemical processes, including electron transfer at electrodes.[1] It also includes models such as Marcus theory.

https://en.wikipedia.org/wiki/Quantum_electrochemistry


Quantum chemistry, also called molecular quantum mechanics, is a branch of chemistry focused on the application of quantum mechanics to chemical systems. Understanding electronic structure and molecular dynamics using the Schrödinger equations are central topics in quantum chemistry.

Chemists rely heavily on spectroscopy through which information regarding the quantization of energy on a molecular scale can be obtained. Common methods are infra-red (IR) spectroscopynuclear magnetic resonance (NMR) spectroscopy, and scanning probe microscopy. Quantum chemistry studies the ground state of individual atoms and molecules, and the excited states, and transition states that occur during chemical reactions.

On the calculations, quantum chemical studies use also semi-empirical and other methods based on quantum mechanical principles, and deal with time dependent problems. Many quantum chemical studies assume the nuclei are at rest (Born–Oppenheimer approximation). Many calculations involve iterative methods that include self-consistent field methods. Major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems, and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms.

https://en.wikipedia.org/wiki/Quantum_chemistry

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