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Very recently, molecular rotational transitions observed in thephoton-dominated region of the Horsehead nebula have been attributed to l-C3H+.In an effort to corroborate this finding, we employed state-of-the art andproven high-accuracy quantum chemical techniques to compute spectroscopicconstants for this cation and its isotopologues. Even though the B rotationalconstant from the fit of the observed spectrum and our computations agree towithin 20 MHz, a typical level of accuracy, the D rotational constant differsby more than 40%, while the H rotational constant differs by three orders ofmagnitude. With the likely errors in the rotational transition energiesresulting from this difference in D on the order of 1 MHz for the lowestobserved transition (J = 4 <- 3) and growing as J increases, the assignment ofthe observed rotational lines from the Horsehead nebula to l-C3H+ isquestionable.

the astrophysical journal. letters

Spectroscopic Constants and Vibrational Frequencies for l-C3H+ and  Isotopologues from Highly-Accurate Quartic Force Fields: The Detection of  l-C3H+ in the Horsehead Nebula PDR Questioned