Table 3.
Predicted spectroscopic constants (in MHz) for isotopic species of CH3C3N and CH3C4H.
Species | B |
---|---|
13CH3CCCN | 2010.51 |
CH![]() |
2054.75 |
CH3C13CCN | 2065.71 |
CH3CC13CN | 2048.72 |
CH3CCC15N | 2011.56 |
13CH3CCCCH | 1982.60 |
CH![]() |
2025.34 |
CH3C13CCCH | 2035.71 (b) |
CH3CC13CCH | 2018.90 |
CH3CCC13CH | 1980.28 |
CH2DCCCCH (a) | A = 120899.40 |
B = 1965.96 | |
C = 1958.41 |
Notes. For all the 13C and 15N species the A value can be assumed for the corresponding parent species, CH3C3N or CH3C4H, 158 099.0 and 159 140.0 MHz, respectively.
For this isotopologue laboratory data are available (Cazzoli et al. 2008). The experimental rotational constant B is 2035.67752 MHz.
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