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Updated: Jun 8, 2025

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
From pole parameters to line shapes and branching ratios
L A Heuser1,2, G Chanturia2, F-K Guo3,4,5
1Forschungszentrum Jülich, Institute for Advanced Simulation, 52425 Jülich, Germany.
Abstract:
Resonances are uniquely characterized by their complex pole locations and the corresponding residues. In practice, however, resonances are typically identified experimentally as structures in invariant mass distributions, with branching fractions of resonances determined as ratios of count rates. To make contact between these quantities it is necessary to connect line shapes and resonance parameters. In this work we propose such a connection and illustrate the formalism with detailed studies of the and resonances. Based on the line shapes inferred from the resonance parameters along these lines, expressions for partial widths and branching ratios are derived and compared to other approaches in the literature.
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