Raman and Infrared Spectral Data and Assignments for Dimethyldiacetylene

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Abstract
Raman displacements and quantitative depolarization factors, and wave numbers for the infrared bands in the KBr region have been obtained for dimethyldiacetylene in CCl4 and benzene solutions. Since the results of the present work are inconsistent with some of the previous assignments, these have been changed. In particular, the line at 475 cm−1, which was previously considered an A1‐type fundamental vibration, is now proved to be depolarized and is assigned as an Ē‐type fundamental. Consistently with this change, the assignment of the 644 cm−1 line of diacetylene as a bending mode is considered. The previous assignments of both of these lines were the cause of the conflicting data existing in the literature between the bond length and the stretching potential constant of the central bond in the structure –C≡C–C≡C–.
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