XVIth International Workshop on
Quantum Systems in
Chemistry and Physics
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Are there isoelectronic trends among Franck-Condon Factors?
Ray Hefferlin,1 Jonathan Sackett1 and Jeremy Tatum2
1Southern Adventist University, Collegedale, TN 37315, USA
2University of Victoria, Victoria, BC V8W 2Y2, Canada
We have calculated the loci of the strongest bands in the ( v '', v ') plane of band systems for many diatomic molecules, assuming both the simple harmonic oscillator (SHO) approximation and the Morse approximation for the potentials of the electronic states. In the SHO case the Condon loci are parabolas. These descriptions are for ( v '', v ') < (11,11). We have calculated the latera recta and the orientations of the SHO parabolas for transitions appropriate to molecules with 13, 21, and 22 electrons. We find that the angle between the symmetry axis of the Condon parabola and the v '' axis is highest for species one proton-shift away from "rare-gas" molecules, such as LiNe. Our preliminary results are shown here. The rare-gas molecules are indicated by vertical lines and by parentheses around their names.










Fig. 1. The 13-electron molecules are CN, BO, BeF, (LiNe), (NaHe), and MgH.The bands are A2Π+-X2Σ.

Fig. 2. The 22-electron molecules are Na2, (MgNe), AlF, SiO, PN, SC, BCl, and (BeAr). The bands are A1Π-X1Σ+.

Fig. 3. The 21-electron molecules are (NaNe), MgF, AlO, SiN, PC, BS, BeCl, (LiAr), (KHe), and CaH. The bands are B2Σ+-X2Σ+.


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