A C≡C stretching vibration of the C6H (hexatriynyl) radical in Ar at 10 K

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Abstract
A study of the Fourier transform infrared (FTIR) spectrum of the products of the vacuum ultraviolet (VUV) photolysis of acetylene and 1,3‐butadiene trapped in solid Ar has resulted in the identification of a vibration of the C6H (hexatriynyl) radical at 1953.4 cm−1. The spectra of various D and 13C isotopomers of C6H produced from isotopically substituted precursors have been observed. The complex, overlapping spectra resulting from partial 13C substitution have been fitted using a force constant adjustment calculation and support the assignment of the 1953.4 cm−1 absorption to a C≡C stretching fundamental of linear C6H. The results of an ROHF/6‐31G* ab initio calculation of the vibrational frequencies for the fundamentals of linear C6H are also reported.

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