The molecular structure of gaseous tetrafluoro-p-benzoquinone and tetramethyl-p-benzoquinone as determined by electron diffraction |
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Authors: | Helene Schei Kolbjørn Hagen Marit Traetteberg Ragnhild Seip |
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Affiliation: | Department of Chemistry, University of Trondheim, NLHT, N-7000 TrondheimNorway;Department of Chemistry, University of Oslo, Biindern, Oslo 3 Norway |
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Abstract: | The molecular structures of gaseous tetrafluoro-p-benzoquinone (p-fluoranil) and tetramethyl-p-benzoquinone (duroquinone) have been investigated by electron diffraction. Except for the methyl group hydrogen atoms, the molecules are planar to within experimental error, but small deviations from planarity are completely compatible with the data. Values for the geometrical parameters (radistances and rα with parenthesized uncertainties of 2σ including estimated uncertainty in the electron wavelength and correlation effects, are as follows. Tetrafluoro-p-benzoquinone: D2h symmetry (assumed); r(C0) = 1.211(6) Å, r(CC) = 1.339(12) Å, r(C-C) = 1.489(5') Å, r(C-F) = 1.323(5) Å, ∠C-C-C = 116.8(7)° and ∠C-C-F = 116.1(7)°. Tetramethyl-p-benzoquinone: C2h symmetry (assumed);r(C-H) = 1.102(18) Å, r(CO) = 1.229(8) Å, r(CC) = 1.352(8) Å, r(Csp2-Csp2) = 1.491(11) Å, r(Csp2-Csp3) = 1.504(12) A, ∠C-CO-C = 120.8(8)°. ∠C-C-CH3 = 116.1(8)°, ∠C-C-H = 110.5(34)° and α1 = α2 (methyl torsion = 30° (assumed). |
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