Decoding Pure Rotational Molecular Spectra for Asymmetric Molecules
Figure 1
An example of three molecules in the principal axes system. The axis system is centered on the molecules center of mass. Notice how, in each case, the -axis is located such that it is as close to as much atomic mass as possible. As evidenced by the inset values and rotational constants, all three molecules may be considered near-prolate asymmetric rotors. The directions of the dipole components for each molecule are shown. The lines between atoms indicate connectivity and not bond order. The three molecules are thioxoacetaldehyde (a), hexafluoroisobutene (b), and 1,1,1,3,3,3-hexafluoropropane (c).
