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Table A.1.

Fit of the Ka = 0 lines of 1-cyanonaphthalene in the Q-band.

Transition a J*b νcalcc νlind νcalc − νline
(MHz) (MHz) (kHz)
270, 27 − 260, 26 55/2 31953.900 31953.897 3.0
280, 28 − 270, 27 57/2 33115.827 33115.826 1.0
290, 29 − 280, 28 59/2 34277.751 34277.751 0.0
300, 30 − 290, 29 61/2 35439.672 35439.672 0.0
310, 31 − 300, 30 63/2 36601.589 36601.590 −1.0
320, 32 − 310, 31 65/2 37763.503 37763.504 −1.0
330, 33 − 320, 32 67/2 38925.413 38925.414 −1.0
340, 34 − 330, 33 69/2 40087.320 40087.321 −1.0
350, 35 − 340, 34 71/2 41249.222 41249.223 −1.0
360, 36 − 350, 35 73/2 42411.120 42411.121 −1.0
370, 37 − 360, 36 75/2 43573.014 43573.015 −1.0
380, 38 − 370, 37 77/2 44734.904 44734.904 0.0
390, 39 − 380, 38 79/2 45896.789 45896.789 0.0
400, 40 − 390, 39 81/2 47058.669 47058.669 0.0
410, 41 − 400, 40 83/2 48220.545 48220.544 1.0
420, 42 − 410, 41 85/2 49382.416 49382.415 1.0

Notes.

a

Rotational quantum numbers of a-type Ka = 0 transitions of 1-cyanonaphthalene with Kc = Ju.

b

Effective rotational quantum number (J* = Ju + 1/2).

c

Predicted frequencies using an A-reduced Hamiltonian (representation Ir) and the rotational constants determined by McNaughton et al. (2018).

d

Fitted frequencies using the relation ν = 2 BeffJ* − 4 DeffJ*3.

e

The results of the fit are Beff = 580.987413 ± 0.000015 MHz and Deff = 4.9354 ± 0.0057 Hz. The standard deviation of the fit is 1 kHz. Difference between the predicted frequencies using an A-reduced Hamiltonian (representation Ir) and those obtained through the linear fit with half integer quantum numbers.

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