Effect of adiabaticity on electron dynamics in zinc myoglobin.
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.
Cho
Byung Moon
BM
Biological and Biophysical Chemistry Group and Molecular Dynamics Group, Department of Chemistry, Imperial College London, London, U.K.
Walker
Ross C
RC
Amer
Halima
H
Mercer
Ian
I
Klug
David R
DR
Gould
Ian R
IR
D000818:Animals; D004583:Electrons; D006736:Horses; D015394:Molecular Structure; D009211:Myoglobin / Q000737:chemistry*; D055672:Static Electricity; D015032:Zinc / Q000737:chemistry*
D009211:Myoglobin; D015032:Zinc