Table 2.
The comparison of the observed wavenumbers (cm−1) and wavenumber shifts (Δν = νGH − νM) for the CHOCHO–NH2OH (GH) complexes present in the Ar and N2 matrices with the corresponding calculated values for the complexes IGH, IIIGH and IVGH. In parentheses, the calculated band intensities are given (km mol−1).
| Approximate Description |
Experimental | Calculated | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Ar | N2 | Δν | |||||||
| ν M | νGH | Δν 1 | ν M | νGH 2 | Δν 1 | IGH | IIIGH | IVGH | |
| Hydroxylamine | |||||||||
| ν(OH) | 3635.5 | 3521.0 3512.4 |
−118.8 | 3637.6 | 3541.1 3520.9 3515.8 |
−96.5 −119.2 |
−145 (7) | −106 (383) | −103 (356) |
| δ(NOH) | 1351.2 | 1412.1 1410.2 |
+60.9 | 1367.4 | 1416.6 1399.7 |
+49.2 +32.3 |
+61 (63) | +72 (29) | +71 (34) |
| ω(NH2) | 1118.3 | 1129.0 1125.8 |
+9.1 | 1133.0 | 1142.6 | +9.6 | +14 (11) | +24 (112) | +22 (122) |
| ν(NO) | 895.6 | 895.3 | 898.8 | +3.5 | +14 (3) | +9 (8) | +6 (8) | ||
| Glyoxal | |||||||||
| ν(CH) | 2860.1 2854.9 |
2857.6 | −0.4 | 2857.1 | 2875.6 | +18.5 | −9 (60) +12 (39) |
+15 (53) +20 (1) |
+1 (52) +51 (8) |
| ν(C=O) | 1724.5 | 1719.0 | −5.5 | 1730.1 | 1720.2 1723.1 |
−9.9 −7.0 |
−4 (122) +4 (23) |
−11 (126) −6 (20) |
−13 (89) −6 (33) |
| γ(CH) | 812.1 807.8 |
807.4 | 820.8 | +13.4 | +37 (0) | +23 (8) | +16 (2) | ||
1 In the case when the splitting of the band was observed, the average of the two wavenumbers at which the two peaks appeared was taken into account to calculate Δν value. 2 The wavenumbers in italic are due to complex of different structure (see text).