Hyperfine Decoupling of ESR Spectra Using Wavelet Transform

The objective of spectral analysis is to resolve and extract relevant features from experimental data in an optimal fashion. In continuous-wave (cw) electron spin resonance (ESR) spectroscopy, both g values a paramagnetic center hyperfine splitting (A) caused by its interaction with neighboring magnetic nuclei molecule provide important structural electronic information. However, the presence g- and/or A-anisotropy large number lines, becomes highly challenging. Either high-resolution techniques are employed spectra those cases or range suitable ESR frequencies used combination simulations identify corresponding A values. this work, we present wavelet transform technique resolving simulated cw-ESR separating super-hyperfine components. We exploit multiresolution property transforms that allow separation distinct spectrum based on simultaneous varying frequency. retain components stored features, while eliminating representing remaining spectrum. tested method metal–ligand adducts at L-, S-, X-band frequencies, showed extracted values, coupling constants spectra, were excellent agreement parameters simulations. For case copper(II) complex distorted octahedral geometry, was able constant revealed buried overlapped spectra.