Table 1. Spectroscopic Constants of the Normal, 13C, and 15N Isotopologues of 2ATFME.
| normal | 13C-1 | 13C-2 | 13C-3 | 15N | |
|---|---|---|---|---|---|
| A/MHz | 3006.8831(2)a | 2994.199(1) | 2992.666(2) | 3006.965(1) | 2997.0405(1) |
| B/MHz | 1664.5799(1) | 1641.3506(2) | 1628.5055(1) | 1641.1545(1) | 1616.3504(7) |
| C/MHz | 1452.4610(1) | 1450.7315(1) | 1449.7566(2) | 1449.7566(2) | 1430.3838(9) |
| ΔJ/kHz | 0.219(2) | 0.219b | 0.219b | 0.219b | 0.219b |
| ΔJK/kHz | 0.016(6) | 0.016b | 0.016b | 0.016b | 0.016b |
| ΔK/kHz | 0.43(3) | 0.43b | 0.43b | 0.43b | 0.43b |
| δJ/kHz | –0.035(1) | –0.035b | –0.035b | –0.035b | –0.035b |
| δK/kHz | 0.004(1) | 0.004b | 0.004b | 0.004b | 0.004b |
| χaac/MHz | 1.918(2) | 1.92(2) | 1.91(2) | 1.91(2) | |
| χbbc/MHz | –3.5062(7) | –3.466(4) | 3.550(4) | –3.508(4) | |
| σd/kHz | 1.8 | 1.7 | 2.3 | 2.3 | 3.4 |
| Ne | 98 | 30 | 29 | 29 | 9 |
a
Error in parentheses are in units of units of the last digit.
b
Values fixed at those found for the normal isotope.
c
Quadrupole coupling constants determined by fitting to 3/2χaa and 1/4(χbb – χcc) and using the traceless nature of the quadrupole coupling tensor.
d
Root-mean-square error of the fit.
e
Number of lines in the fit.