Chemical Sciences Seminars

Computation of Resonance Magnetic Fields of CW‑EPR Spectra by Reversion of Power Series

by Prof. Ranjan Das (Dept. of Chemical Sciences, TIFR, Mumbai)

Monday, July 8, 2019 from to (Asia/Kolkata)
at AG-69
Description
Electron paramagnetic resonance (EPR) spectra are generally recorded as a function of the magnetic field, while keeping the energy of transitions fixed.  Calculations of the EPR spectra, however, are almost always performed at a fixed magnetic field of a given spin-Hamiltonian to determine the energies of various transitions. These two methods, in general, do not produce equivalent spectra. In this pedagogical talk, I will first briefly highlight how various approaches have been used to handle this dichotomy by various workers. I will then describe our recent method to calculate the resonance magnetic fields at a fixed frequency.  With some help from the perturbation theory and the mathematics of reversion of polynominals, our method gives the resonance magnetic fields at a fixed frequency in a relatively simple and straightforward manner.
 
Ref. Vinayak Rane and Ranjan Das, Applied Magnetic Resonance,  https://doi.org/10.1007/s00723-019-01128-6