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Updated: Aug 7, 2026

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
Published on: June 8, 2022
Effect of adiabaticity on electron dynamics in zinc myoglobin
Byung Moon Cho1, Ross C Walker, Halima Amer
1Biological and Biophysical Chemistry Group and Molecular Dynamics Group, Department of Chemistry, Imperial College London, London, U.K.
Abstract:
Electron-vibration coupling in zinc substituted myoglobin has been calculated using a quantum mechanical/molecular mechanical method. The methodology has been tested by a direct comparison of the calculated optical observables, the steady-state optical spectra and three-pulse-photon-echo-peak-shift (3PEPS) function, to those experimentally measured showing a qualitative agreement. A range of experiments and calculations were performed to explain the discrepancies, which lead to the conclusion that the discrepancy originates from adiabatic coupling of the two nearly degenerate electronic transitions.
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