A C [equivalent] C stretching vibration of the C6H (hexatriynyl) radical in Ar at 10 K
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.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- November 1991
- DOI:
- 10.1063/1.461568
- Bibcode:
- 1991JChPh..95.6224D