Table 2
Spectroscopic parameters determined for HOCO+.
| Parameter | Unit | Fit I | Fit II | ab initioa |
|
|
||||
| ground state | ||||
| A | MHz | 789 947.786(23) | 789 944.610(21) | 784 759.5 |
| B | MHz | 10 773.73262(26) | 10 773.68964(34) | 10 787.1 |
| C | MHz | 10 609.43083(28) | 10 610.3413(23) | 10 623.7 |
| D J | kHz | 3.49883(20) | 3.54176(24) | 3.433 |
| D JK | MHz | 0.93613(12) | 0.6454(38) | 0.852 |
| D K | MHz | 1 123.57b | 1 123.57b | 728.341 |
| d1 | kHz | –0.05153(12) | –0.04555(20) | –0.04148 |
| d2 | kHz | –0.01635(10) | 0.01744(15) | –0.00914 |
| HJ | Hz | –0.002c | –0.002c | –0.002 |
| HJK | Hz | 0.402(83) | 14.5(11) | 0.885 |
| HKJ | kHz | 3.597(28) | 19.756(52) | –0.089415 |
| HK | MHz | 3.418c | 3.418c | 3.418 |
| v5 = 1 | ||||
| A | MHz | 767 920.6d | 762 735.5 | |
| B | MHz | 10 789.9d | 10 803.2 | |
| C | MHz | 10 641.6d | 10 655.0 | |
| D J | kHz | 3.433c | 3.433 | |
| DJK | MHz | 0.852c | 0.852 | |
| D K | MHz | 1300e | 728.341 | |
| d 1 | kHz | –0.04148c | –0.04148 | |
| d 2 | kHz | –0.00914c | –0.00914 | |
| H J | Hz | –0.002c | –0.002 | |
| H JK | Hz | 0.885c | 0.885 | |
| H KJ | kHz | –0.089415c | –0.089415 | |
| H K | MHz | 3.418c | 3.418 | |
| ΔEv | cm-1 | 535.6c | ||
|
MHz | 3 816.6(47) | ||
|
kHz | 18.0(11) | ||
| no. of lines | 74 | 93 | ||
| σ w | 0.82 | 1.03 | ||
Notes. See text for details on fit I and fit II. Values in parentheses represent 1σ uncertainties, expressed in units of the last quoted digit.
Theoretical values computed by Fortenberry et al. (2012).
Fixed at the value determined by Amano & Tanaka (1985b).
Derived from the ground-state value plus ab initio α (Fortenberry et al. 2012).
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