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The vibrational wavefunction of a certain molecule in its electronically ground state is Ï0 = N0eâ2x2 . Calculate the FranckâCondon factor in terms of x0 for an electronic transition to a vibrational state described by Ï 0ʹ = N 0ʹ exp{â (xâx0 )2}.
In this exercise, we will use partition functions and statistical techniques to charaterize the binding equilibrium of oxygen to a heme protein. The equilibrium that we study is O2(gas, 310K)âO2(bound, 310K).
Part D
Assume when oxygen attaches to a heme group it attaches end-on such that one of the oxygen atoms is immobilized and the other is free to vibrate. Calculate the vibrational temperature of heme-bound oxygen.
Part F
Assume the oxygen partial pressure iis PO2=1.00 atm and T=310K. Assuming the O=O bond energy De does NOT change when O2 binds to the heme group, calculate the binding constant K. Assume the oxygen molecule forms a weak bond to the heme group for which the energy is w=-63kJ/mol.