Table 1.
Gaussian function peak centers (Ω0), standard deviations (σ), and relative intensities (I) for conformers of +7 and +8 unmodified (M) and oxidized (M+O) ions.
| +7
|
+8
|
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ω0 (σ)a | SSb | Ic (M) | I (M+O) | Ω0 (σ) | SS | I (M) | I (M+O) | Ω0 (σ) | SS | I (M) | I (M+O) | Ω0 (σ) | SS | I (M) | I (M+O) |
|
|
|
|
|
||||||||||||
| 980 (11) | N1 | 0.000 | 0.028 | 1160 (42) | N5 | 0.028 | 0.092 | 1020 (6) | N1 | 0.033 | 0.003 | 1360 (47) | N6 | 0.246 | 0.304 |
| 1010 (17) | N2 | 0.703 | 0.326 | 1250 (36) | N6 | 0.009 | 0.031 | 1040 (25) | N2 | 0.039 | 0.000 | 1450 (49) | A1 | 0.210 | 0.253 |
| 1040 (25) | N3 | 0.179 | 0.167 | 1280 (38) | N7 | 0.000 | 0.000 | 1120 (41) | N3 | 0.091 | 0.063 | 1570 (28) | A2 | 0.012 | 0.001 |
| 1060 (32) | A | 0.017 | 0.203 | 1300 (36) | N8 | 0.026 | 0.053 | 1160 (60) | U | 0.060 | 0.079 | 1650 (11) | A3 | 0.009 | 0.010 |
| 1100 (28) | N4 | 0.030 | 0.077 | 1370 (64) | N9 | 0.008 | 0.023 | 1210 (34) | N4 | 0.099 | 0.070 | 1680 (6) | A4 | 0.014 | 0.012 |
| 1290 (42) | N5 | 0.187 | 0.206 | ||||||||||||
|
| |||||||||||||||
| SUM | N | 0.983 | 0.797 | A | 0.017 | 0.203 | SUM | N | 0.695 | 0.645 | A | 0.245 | 0.276 | ||
|
| |||||||||||||||
| U | 0.060 | 0.079 | |||||||||||||
a
Ω0 (σ) has unit of Å2.
b
Solution states (N, A, and U) assigned to the respective gas-phase conformation types.
c
The reported relative intensities are obtained by dividing the area of each Gaussian distribution by the total area.