Boron atoms with acetylene. Ab initio calculated and observed isotropic infrared spectra of the borirene radical BC2H2: a fingerprint match

The boron-acetylene reaction was studied to analyze the C-H insertion and C=C addition interreactions between the boron and acetylene atoms. Mixtures of argon/acetylene were deposited with laser-evaporated boron atoms at the target using 40 milliJoules/pulse. Calculations were performed at the MP2 level using the DZP basis set. Results indicate the presence of a strong absorption band in the mixture near the ultraviolet range.