One method for determining FranckCondon factors between the n = 0 vibrational state of the ground electronic

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One method for determining Franck€“Condon factors between the n = 0 vibrational state of the ground electronic state and the nth vibrational level of an electronic excited state is:

1(82 exp n! 2 FCo-n 2

where δ is the dimensionless displacement of the excited state relative to the ground state, and can be related to atomic displacements through:

1/2 (r. - r;) %3D

a. Determine the Franck€“Condon factors for n = 0 to n = 5 when δ = 0.20 corresponding to the excitedstate potential surface being slightly displaced from that of the ground state.

b. How would you expect the Franck€“Condon factors to change if the excited-state displacement increases to δ = 2.0? Verify your expectation by calculating the Franck€“Condon factors from n = 0 to n = 5 for this displacement.

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Physical Chemistry

ISBN: 978-0321812001

3rd edition

Authors: Thomas Engel, Philip Reid

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