V. Typke, M. Dakkouri, H. Onerhammer
Mar 1, 1978
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Journal
Journal of Molecular Structure
Abstract
Abstract The average molecular structures of X-CF 3 , molecules (X = Cl, Br, I) have been determined by combined use of electron diffraction and microwave data. Including results for X = H and X = F a strict correlation between C-F bond length and the electronegativity of the X atom is observed. This correlation can be nicely understood in terms of the electron distribution calculated in the CNDO/2 approximation. It is also observed that the change in the C-X bond length with substitution of the CF 3 -group by a CH 3 -group is strictly correlated with the electronegativity of the X atom.