Articles you may be interested inMillimeter-wave rotational spectroscopy of FeCN (X 4Δi) and FeNC (X 6Δi): Determining the lowest energy isomer Ab initio molecular orbital prediction of the Renner-Teller effect for the first excited state 2 ∏ of MgNC: Reinterpretation of the laser-induced fluorescence spectrum based on the predicted spectroscopic constants A new molecular electronic band system has been observed in the near UV by laser fluorescence excitation in a free-jet supersonic expansion of photolyzed Fe͑CO͒ 5 diluted in seed gases containing acetonitrile. The three observed bands displayed the rotational structure of a ⍀Јϭ7/2←⍀Љϭ9/2 transition and could be assigned as an excited-state progression in a single vibrational mode. The rotational constant BЉ and its change upon isotopic substitution in acetonitrile ͓CH 3 13 CN͔ was consistent with the assignment of the molecular carrier as the linear FeNC molecule. In analogy with the iron monohalides, which have electronic band systems in the same wavelength range, the transition can be described as a 4p←4s excitation. The derived structure is compared with that of other metal-containing cyanide/isocyanide molecules.