Table 3. Spectroscopic Parameters Determined for the aGg′ Species of Doubly Deuterated Ethylene Glycola.
| constant | unit | this work (exp) | ref (39) (theo) | ref (22) (exp) | constant | unit | this work (exp) | ref (22) (exp) |
|---|---|---|---|---|---|---|---|---|
| A | MHz | 14380.069(5) | 14403.1 | 14380.07(9) | E* | MHz | 293.206(4) | 293.20(5) |
| B | MHz | 5288.8171(9) | 5267.8 | 5288.81(8) | E*J | kHz | –1.395(8) | |
| C | MHz | 4325.1514(7) | 4319.3 | 4325.17(2) | E*K | kHz | –60.28(4) | –69.(4) |
| DJ | kHz | 6.9017(5) | 6.837 | 7.2(2) | E*JK | kHz | –0.01355(10) | |
| DJK | kHz | –30.596(7) | –25.918 | –29.6(8) | E*JJ | Hz | –0.082(7) | |
| DK | kHz | 71.6(1) | 58.613 | 69.(3) | E*JJK | Hz | –0.00261(6) | |
| d1 | kHz | –2.2437(5) | –2.143 | –2.2(2) | E*2 | Hz | 80.(2) | |
| d2 | kHz | –0.2086(9) | –0.155 | E*2K | Hz | –5.7(1) | ||
| HJ | mHz | –16.12(7) | –31.2 | E*2JK | mHz | –0.00301(10) | ||
| HJK | mHz | 734.(2) | 251.4 | Fbc | MHz | –37.955(8) | –38.1(1) | |
| HKJ | Hz | –3.082(5) | –1.005 | Fbc,J | MHz | 0.00294(1) | ||
| HK | Hz | 21.1(6) | 1.389 | Fbc,K | MHz | –0.1213(1) | ||
| h1 | mHz | –7.17(8) | –14.6 | F2bc | MHz | –0.001465(3) | ||
| h2 | mHz | –2.10(6) | –2.0 | Fab | MHz | –358.440(9) | –358.(1) | |
| h3 | mHz | –1.40(3) | –0.1 | Fab,J | MHz | 0.00353(1) | ||
| Fab,K | MHz | –0.01773(5) | ||||||
| F2ab | MHz | –0.00482(3) |
a
Notes: Values in parentheses denote one standard deviation and apply to the last digits of the constants.