| Popis: |
Type A, B and C band contours are computed (at 300°K), and their sub-band structure described, for molecules of the type of naphthalene and azulene (κ ~ —0.65, rotational levels significantly populated up to J = 120). Band contours of widely different types occur for changes in A and B of up to about ± 5%. For larger changes, significant structure practically disappears. Calculations indicate that the changes of shape in π∗ ← π electronic transitions in aromatic molecules should mostly fall inside the 5% limit. |
