Knowledge Bank

A normal mode analysis of Acetylene in both the $X~$ and $A~$ state was performed based on experimentally available force $constants1,2$. The analysis utilized the GF matrix approach from which normal coordinates were obtained. These normal coordinates were used to evaluate multi-dimensional overlap integrals of the wave functions for the two states. The results of these overlap integrals provided intensity contours for vibronic transitions which can be compared to experimental dispersed fluorescence $data3$.