Pseudo-Jahn-Teller Effect In Ferrohemoglobin Due To (3d)6-(3d)5(4p) Interaction By An Alpha-2-Mu-Vibrational Mode

The triggering mechanism at the transition from the T -conformation to R -conformation in the Hemoglobin is attributed to the pseudo-Jahn-Teller effect resulting from the intra-atomic (3d) 6 -(3d) 5 (4p) interaction by an A 2 u vibrational mode. The general formula for this effect in ion-porphyrins as well as metalloporphyrins is given by the closure approximation. The explicit adiabatic potentials of the iron for the tertiary two conformations ( t - and r -conformation) are given.