Circular dichroism vibronic coupling

Yang D, Rauk A (1992) Vibrational circular dichroism intensities ab initio vibronic coupling theory using the distributed origin gauge. J Chem Phys 97 6517-6534... 

Circular Dichroism and Magnetic Circular Dichroic Spectra.—There have been two papers concerned with the theory of c.d. one concerned with vibronic coupling,187 the other with radiationless decay.188 Circular dichroism detected 78 80 81 84 88... 

D. Yang and A. Rauk, J. Chem. Phys., 97,6517 (1992). Vibrational Circular Dichroism Ab Inido Vibronic Coupling Theory Using the Distribute Origin Gauge. 

D. Yang, Ph.D. Dissertation, The University of Calgary (1992). Implementation of Ab Initio Vibronic Coupling Theory to Interpret Vibrational Circular Dichroism Spectra. 

As a second example, Af for a uniformly polarized charge transfer transition of l,4-bis(R)-l-phenyl-ethylamino)-9,10-anthraquinone [2] is shown in Figure 8. There is no vibronic coupling and therefore no difference in the frequency dependence of the tensor coordinates. Furthermore, the tensor coordinate A u 0 because the transition is polarized parallel to the xj direction (long axis of the anthraquinone skeleton). This indicates that for [2] the xj axis is approximately a principal axis of the circular dichroism tensor. Of interest, but not shown for [2], is the large... 

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