Triplet line shape simulation in continuous wave electron paramagnetic resonance experiments

Abstract

ABSTRACT:We present a simple yet powerful method of simulating continuous wave electron spin resonance line shape of triplets in frozen and liquid solutions. The analysis enables one to consider cases such as immobilized triplets with random distribution, anisotropic slow and fast rotation of the triplet molecules, exchange between triplets with different Hamiltonians, anisotropic relaxation rates, and triplets with non-Boltzmann population distribution of the spin levels. Theoretical basis for the method is provided, along with several examples of simulated and experimental spectra for various physical conditions. A short "Matlab" routine, which can be used in the numerical spectra simulation, is given in the Appendix.

Photoexcited State Properties of H2-Porphyrin/C60-Based Rotaxanes as Studied by Time-Resolved Electron Paramagnetic Resonance Spectroscopy

“…Analysis of the TREPR line shapes was performed as described elsewhere. 22,23 The radical pair (RP) spectra were analyzed in terms of spin correlated radical pair (SCRP) and triplet radical pair (TRP) mechanisms. 24–26 …”

Structure-function relationship in antimony corrole photosensitizers: Time-resolved electron paramagnetic resonance and optical study

“…Rotating the frozen sample by 90° about an axis perpendicular to the magnetic field yields the director orientation L⊥B. Analysis of the TREPR lineshapes and time profiles of the corroles, oriented in a uniaxial LC, was performed as described elsewhere [50][51][52]. In all EPR experiments, the kinetic curves did not depend upon microwave power (in the range of 22-93 mW) and did not exhibit any oscillations, indicating the absence of the saturation effects [53].…”

Photoexcited Triplet State Properties of Brominated and Nonbrominated Ga(III)-Corroles as Studied by Time-Resolved Electron Paramagnetic Resonance

“…[49][50][51] The orientational distribution functions f(φ) and f(θ′) describe the alignment of the molecules embedded in LC relative to the LC director L.…”