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The experimental data were taken from
(1) E. Hirota and Y. Morino,
1960, Bull. Chem. Soc. Japan, 33, 158;
from
(2) R. L. Cook, R. T. Walden, and G. E. Jones,
1974, J. Mol. Spectrosc., 53, 370;
and from
(3) J. Burie, D. Boucher, J. Demaison, and A. Dubrulle,
1982, J. Physique., 43, 1319.
In accordance with (2), only the four lowest
transitions with J ≤ 2 of (1)
were used in the fit. Predictions with uncertainties
exceeding 0.5 MHz should be viewed with caution.
Malononitrile is rather heavy and has a very low
volatility. Therefore, we expect predictions to be
sufficient for astronomical searches at present.
Spin-statistics of 5 : 7 have been
considered for transitions with
Ka + Kc
being odd and even, respectively.
The dipole moment was determined in (1).
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