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Full-Text Articles in Physical Sciences and Mathematics
Calculation Of Pseudocontact Shifts For Co( Ch30h)5x2+ Complexes, Jerry Goodisman
Calculation Of Pseudocontact Shifts For Co( Ch30h)5x2+ Complexes, Jerry Goodisman
Chemistry - All Scholarship
In this article, we calculate pseudocontact shifts for tetragonal high-spin Co(I1) complexes using a crystal field model. Calculated results for the dipolar field strength and its variation with temperature are compared with values derived from experimental measurements on complexes of the form Co(CH30H)5X2+. The calculation involves evaluation of the anisotropy of the magnetic susceptibility, and proceeds by the following steps: (a) from the crystal field parameters Dq, Ds, Dt, and B the three orbital wave functions of lowest energy are found. (b) The effect of spin-orbit coupling over the 12 states (three orbital wave functions coupled with four spin states) …
The Lippmann Equation And The Ideally Polarizable Electrode, Jean- Pierre Badiali, Jerry Goodisman
The Lippmann Equation And The Ideally Polarizable Electrode, Jean- Pierre Badiali, Jerry Goodisman
Chemistry - All Scholarship
The Lippmann equation for the ideally polarizable interface is normally derived by thermodynamics, using the Gibbs dividing surface. Therefore, the quantities appearing in the Lippmann equation can have no reference to the actual charge distribution in the interfacial region. For example, the quantity referred to as surface charge is actually a sum of surface excesses, rather than the integral of a true charge density. In this article we derive, by statistical mechanical methods, the Lippmann equation for a model at the molecular level, thus giving a precise physical definition to all quantities which appear. First, we derive the conditions for …