Laboratory rotational spectrum and astronomical search for methoxyacetaldehyde

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Volume 619 (November 2018)

A&A, 619 (2018) A67

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Table 1.

A−E splitted transitions observed in the jet-cooled spectrum of methoxyacetaldehyde and the spectroscopic parameters obtained from their analysis.

Rotational transition						A-symmetry			E-symmetry			Parameter^d	Value
J′	K′_a	K′_c	J″	K″_a	K″_c	ν_obs^a MHz	u_{ν_obs}^b MHz	ν_obs−ν_calc^c MHz	ν_obs MHz	u_{ν_obs} MHz	ν_obs−ν_calc MHz	Parameter^d	Value
3	1	3	4	0	4	7976.421	0.010	0.003	7975.949	0.010	0.002	A/MHz	28475.3075 (91)^e
2	1	2	3	0	3	12620.309	0.010	–0.012	12619.842	0.010	–0.003	B/MHz	2296.4338 (22)
1	1	1	2	0	2	17211.683	0.010	0.008	17211.179	0.010	0.000	C/MHz	2187.5328 (32)
3	2	2	2	2	1	13451.894	0.010	–0.007	…^f	…	…	V₃/cm⁻¹	860.4 (21)
3	2	1	2	2	0	13453.259	0.010	0.006	…^g	…	…	σ_fit^h/kHz	10

Notes.

^(a)

Observed frequency.

^(b)

Uncertainty of the observed frequency.

^(c)

Observed minus calculated frequency.

^(d)

Moment of inertia of the methyl top I_a = 3.173 uÅ² and angles between the internal rotation axis i and the principal axis ∠(i, a) = 28.19°, ∠(i, b) = 61.81°, ∠(i, c) = 90° were obtained from the ab initio calculations and were kept fixed during the fitting procedure.

^(e)

The numbers in parentheses are 1σ uncertainties (67% confidence level) in units of the last decimal digit.

^(f)

Blended with the E-symmetry component of the 3₂₁ ← 2₂₀ transition.

^(g)

Blended with the E-symmetry component of the 3₂₂ ← 2₂₁ transition.

^(h)

Root mean-square deviation of the fit.

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