Benzene isotopologue rotational constants (in MHz) used for structure analysis. Values marked in grey were outliers and were excluded from the analysis. Number in brackets denote the estimated uncertainty (1 − σ) in the corresponding last digits.
| Isotopologue | A 0 | B 0 | C 0 | Symmetry | Author | Ref. |
|---|---|---|---|---|---|---|
| C6H6 | — | 5688.9220(060) | — | Oblate pl. | Pliva1990 | 28 |
| C6H6 | — | 5689.2664(060) | — | Oblate pl. | Hollenstein1990 | 31 |
| C6H6 | — | 5689.2781(010) | — | Oblate pl. | Juntilla1991 | 32 |
| C6H6 | — | 5689.2120(009) | — | Oblate pl. | Doi2004 | 55 |
| C6H6 | — | 5689.2670(005) | — | Oblate pl. | Lee2019 | 2 |
| C6H6 | — | 5689.2855(005) | — | Oblate pl. | In2021 | This work |
| 13C–C5H6 | 5689.474(018) | 5568.473(023) | 2868.600(730) | Planar | In2021 | This work |
| D1-C6H5 | 5689.144(006) | 5323.934(006) | 2749.674(006) | Planar | Oldani1984 | 42 |
| D1-C6H5a | 5689.143(006) | 5323.933(006) | 2749.675(006) | Planar | Kunishige2015 | 15 |
| o-D2-C6H4 | 5498.062(004) | 5164.242(004) | 2662.496(004) | Planar | Oldani1988 | 43 |
| o-D2-C6H4b | 5498.032(009) | 5164.213(009) | 2662.466(006) | Planar | Kunishige2015 | 15 |
| m-D2-C6H4 | 5502.669(007) | 5152.057(006) | 2660.358(006) | Planar | Oldani1988 | 43 |
| m-D2-C6H4a | 5502.667(009) | 5152.053(009) | 2660.352(009) | Planar | Kunishige2015 | 15 |
| o-D3-C6H3c | 5168.017(015) | 5151.933(060) | 2579.579(006) | Planar | Kunishige2015 | 15 |
| o-D4-C6H2c | 5163.715(006) | 4846.814(006) | 2499.792(003) | Planar | Kunishige2015 | 15 |
| m-D4-C6H2c | 5151.993(120) | 4850.312(120) | 2497.902(030) | Planar | Kunishige2015 | 15 |
| o-D5-C6H1c | 4998.170(150) | 4707.221(150) | 2423.972(060) | Planar | Kunishige2015 | 15 |
| C6D6 | — | 4707.125(006) | — | Oblate pl. | Doi2004 | 55 |
| C6D6 | — | 4707.312(052) | — | Oblate pl. | Pliva1989 | 39 |
| C6D6 | — | 4707.327(006) | — | Oblate pl. | Snels2002 | 40 |
| C6D6 | — | 4707.318(003) | — | Oblate pl. | In2021 | This work |
| 13C–C5D6 | 4707.541(036) | 4624.188(031) | 2332(16) | Planar | In2021 | This work |
| 13C6H6 | — | 5337.925(060) | — | Oblate pl. | Pliva1990 | 28 |
| 13C6H6 | — | 5337.884(051) | — | Oblate pl. | In2021 | This work |
| 13C6D6 | — | 4464.371(024) | — | Oblate pl. | Pliva1991 | 41 |
a
Kunishige's15 re-evaluated constants from Oldani1988,43 with distortion constants DJ, DJK, and DK fixed to the averaged values of C6H6 and C6D6.
b
Kunishige's15 re-evaluated constants from Oldani1988,43 including one additional transition and with distortion constants DJ, DJK, and DK fixed to the averaged values of C6H6 and C6D6.
c
Distortion constants DJ, DJK, and DK fixed to the averaged values of C6H6 and C6D6.