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In chemistry, charge-transfer (CT) complex, or electron donor-acceptor complex, describes a type of supramolecular assembly of two or more molecules or ions. The assembly consists of two molecules that self-attract through electrostatic forces, i.e., one has at least partial negative charge and the partner has partial positive charge, referred ...
The reorganization energy is defined as the energy required to "reorganize" the system structure from initial to final coordinates, without making the charge transfer. 2. It provides a formula for the pre-exponential factor in the Arrhenius equation, based on the electronic coupling between the initial and final state of the electron transfer ...
They appear in the Butler–Volmer equation and related expressions. The symmetry factor and the charge transfer coefficient are dimensionless. [1] According to an IUPAC definition, [2] for a reaction with a single rate-determining step, the charge transfer coefficient for a cathodic reaction (the cathodic transfer coefficient, α c) is defined as:
Pauling calculated the charge build up on the silicon atom due to the difference in electronegativity to be +2. The electroneutrality principle led Pauling to the conclusion that charge transfer from O to Si must occur using d orbitals forming a π-bond and he calculated that this π-bonding accounted for the shortening of the Si-O bond.
This is known as the charge transfer rate. The second is the rate at which reactants are provided, and products removed, from the electrode region by various processes including diffusion, migration, and convection. The latter is known as the mass-transfer rate [Note 1]. These two rates determine the concentrations of the reactants and products ...
Mulliken charges arise from the Mulliken population analysis [1] [2] and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression (QSAR [3]) procedures. [4]
This equation is characteristic of incoherent hopping transport, which takes place at low concentrations, where the limiting factor is the exponential decay of hopping probability with inter-site distance. [4] Sometimes this relation is expressed for conductivity, rather than mobility:
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