M. Trætteberg, P. Bakken, R. Seip
1979
Citations
0
Influential Citations
6
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The molecular structure and conformation of 1,6-dibromo-1,5-hexadiyne have been studied by gas electron diffraction. The molecules were found to exist in an anti/gauche conformational mixture, with about equal amounts of the two conformers. The main structural parameters ( r a and angle α) are: C 3 C 4 1.563(7) A; C 2 C 3 1.468(3) A; CC 1.220(2) A; CBr 1.794(1) A; CH 1.087(8) A; ∠ C 2 C 3 C 4 111.5(4)°. No significant deviation from linearity could be detected in the BrCCC fragments. A normal coordinate analysis for both conformers of 1,6-dibromo-1,5-hexadiyne has also been carried out, and mean amplitudes of vibration and perpendicular amplitude correction coefficients have been calculated at 0 K and 298 K.