Table 5. Proposed Vibrational Assignments of C2H5NO2 Valence and Rydberg Series Converging to the Ionic Electronic Ground (16a′)−1 and First (15a′)−1 Excited States in the Photon Energy Range 9.0–10.8 (Energies in eV)a.
| energyb | assignment | ΔE (υ4′) | ΔE (υ5′) |
|---|---|---|---|
| 3s(17a′) ← n̅O/σCC(14a′) + π* (5a″) ← π(2a″) | |||
| 9.13(7)(s,w) | 000 | ||
| 9.20(1)(s,w) | 501 | 0.064 | |
| 9.26(3)(s,w) | 502 | 0.062 | |
| 9.31(9)(s,w) | 503 | 0.056 | |
| 9.38(2)(s,w) | 504 | 0.063 | |
| 9.44(6)(w) | 505 | 0.064 | |
 |
0.062 | ||
| 9.48(3)(w) | 3d(15a′)−1 | ||
| 9.54(5)(b) | 4s(16a′)−1 | ||
| 9.58(9)(b) | 501/40 | 0.106 | 0.044 |
| 9.66(0)(w) | 502 | 0.071 | |
| 9.71(7)(b) | 503/40 | 0.128 | 0.057 |
| 9.78(2)(s) | 504 | 0.065 | |
| 9.82(4)(s,w) | 505/40/4p (16a′)−1 | 0.107 | 0.042 |
| 9.82(4)(s,w) | 4p (16a′)−1 | ||
| ··· | ··· | ||
| 9.94(7)(s,w) | 5n/401 | 0.123 | |
| 9.995 | 5n+1 | 0.048 | |
| 10.05(6)(s) | 5n+2/402/4s(15a′)−1 | 0.109 | 0.061 |
| 10.12(5)(s) | 5n+3 | 0.069 | |
| 10.16(7)(s) | 5n+4/403 | 0.111 | 0.042 |
| 10.20(0)(s) | 4d(15a′)−1 | ||
| 10.26(8)(s) | 501 | 0.068 | |
| 10.38(0)(s) | 5p (16a′)−1 | ||
| 10.44(5)(b) | 5p (16a′)−1 + 501 | 0.065 | |
 |
0.114 | 0.057 | |
a
See text for details.
b
(s) shoulder structure; (w) weak feature; (b) broad structure (the last decimal of the energy value is given in parentheses for these less-resolved features);.