Spectroscopy of phenyltetrazine, (phenyltetrazine)2, and phenyltetrazine–Ar as studied in a supersonic free jet

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Abstract
The 0–0 band of the 1B1←1A1 (π*←n) electronic transition of phenyl‐s‐tetrazine (C6H5–C2N4H) was observed in a supersonic free jet at 17 617.8 cm−1. The high resolution rotational spectrum of the origin allowed the determination of the structure of phenyltetrazine in the gas. It is planar in both ground and excited electronic states. Weakly bound phenyltetrazine dimers were observed. Structures of two distinct dimers are proposed. Several van der Waals complexes of argon with phenyltetrazine were observed. The phenyltetrazine–Ar (tetrazine) rotational spectrum was analyzed. The distance of the argon from the center of the tetrazine ring is 3.34 Å.