On the molecular structure of X-CF3 molecules (X = Cl, Br, I)
1978; Elsevier BV; Volume: 44; Issue: 1 Linguagem: Inglês
10.1016/0022-2860(78)85008-x
ISSN1872-8014
AutoresVolker Typke, Marwan Dakkouri, H. Onerhammer,
Tópico(s)Inorganic Fluorides and Related Compounds
ResumoThe average molecular structures of X-CF3, 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 CF3-group by a CH3-group is strictly correlated with the electronegativity of the X atom.
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