K. Gallaher, S. Bauer
Sep 1, 1975
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Journal
Journal of Molecular Structure
Abstract
Abstract An electron diffraction study of 1,2,3,3-tetrachloro-4,5-dimethyl spiro[2.3]-hexa-1,4-diene (Spiro) in the gas phase, confirmed the atom connectivities and led to a structure with roughly tetrahedral bonding about the spiro-carbon atom. The internuclear distances were obtained with moderate precision. The optimum least squares fitting of the experimental molecular scattering function gave a model with C s symmetry. The r g values are: (C 3 -C 6 ) = 1.54 (.10) A (assumed), (C 2 -C 3 ) = 1.52 (.02) A, av = 1.35, (.010) A, (C 5 -C 6 ) = 1.46 (.02) A, (C 4 -C 7 ) = 1.52 (.03) A, (C-Cl) = 1.69 (.03) A and (-C-Cl) = 1.77 (.03) A. The angle (θ) between the C 3 -C 6 bond and the cyclopropene plane is 127.5°. The large value for av is compared with the X-ray crystal structure result, and with the structures of other cyclopropenes and cyclobutenes.