Molecular structure of perfluoroadamantane from gas-phase electron diffraction

I Hargittai, J Brunvoll, T Sonoda, T Abe…

Index: Hargittai, Istvan; Brunvoll, Jon; Sonoda, Takaaki; Takashi, Abe; Baba, Hajime Journal of Molecular Structure, 1998 , vol. 445, # 1-3 p. 55 - 58

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Citation Number: 7

Abstract

The following bond lengths (rg) and bond angles have been determined for perfluoroadamantane from gas-phase electron diffraction: C C 1.560±0.003, C (F2) F 1.340±0.005, C (F) F 1.363±0.010 A ̊, CC (F2) C 107.7±0.9, CC (F) C 110.3±0.4, FC (F2) F 106.9±0.4, C (F2) CF 108.6±0.4 and C (F) CF 110.5±0.2°. Perfluorination is found to expand the adamantane cage, characterized by a 0.02 Å lengthening of the C C bonds.