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Vibrational spectra and force field of triacetylene

1974; Pergamon Press; Volume: 30; Issue: 6 Linguagem: Inglês

10.1016/0584-8539(74)80110-8

1873-3824

E. Bjarnov, Daniel H. Christensen, O. Faurskov Nielsen, Else Augdahl, Else Kloster‐Jensen, Astri Rogstad,

Molecular spectroscopy and chirality

The infrared and Raman spectra of triacetylene were examined in the region 4000-40 cm−1. The infrared spectrum was recorded in the gas phase and in solution, while the Raman spectrum was obtained from a pentane solution at −20 to −30°C. The spectra were interpreted in terms of a linear structure of D∞h-symmetry. Force constant calculations were carried out and the force constants adjusted to fit accurately the fundamental frequencies.