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Bis(fluorocarbonyl) Peroxide; an Unusual Molecular Structure
Author(s) -
Mack HansGeorg,
Oberhammer Heinz,
Védova Carlos O. Della
Publication year - 1991
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199111451
Subject(s) - dihedral angle , peroxide , chemistry , electron diffraction , gas phase , ab initio , crystallography , ab initio quantum chemistry methods , computational chemistry , molecular geometry , diffraction , molecule , physics , organic chemistry , optics , hydrogen bond
Attractive interactions between the two carbonyl groups are a possible explanation for the extremely small dihedral angle CO1O1′C′ in the peroxide 1 as determined both by electron diffraction in the gas phase and by ab‐initio calculations. The expected opening of the dihedral angle due to a likewise conceivable conjugation of the π‐electron system of the C(O)F substituents fails to occur.