New deuterated species in TMC-1: Detection of CH2DC4H with the QUIJOTE line survey

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Table 1.

Observationally derived and theoretical spectroscopic parameters (in MHz) for CH₂DC₄H.

Constant	Space ^(a)	Ab initio ^(b)
A	120899.40 ^(c)	120899.40
B	1965.90898(101)	1965.96
C	1958.01640(129)	1958.41
Δ_J	1.001(42)10⁻⁴	–
Δ_JK	1.175(46)10⁻²	–
rms ^(d)	12.2	–
J_min/J_max	8/12	–
K_min/K_max	0/1	–
N ^(e)	12	–

^(a)

Notes.Fit to the lines of CH₂DC₄H observed in TMC-1.

^(b)

CCSD/cc-pVTZ level of theory. Scaled values using CH₃C₄H as a reference . See text.

^(c)

Fixed to the calculated value.

^(d)

The standard deviation of the fit in kHz.

^(e)

Number of lines included in the fit.

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