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Molecular structure of oxetane

1975; Taylor & Francis; Volume: 30; Issue: 1 Linguagem: Inglês

10.1080/00268977500101901

1362-3028

R. A. Creswell,

Fluorine in Organic Chemistry

Abstract The microwave spectra of α13Cβ-d2 and β13Cβ-d2 oxetane are reported. The puckering vibrational dependence of the inertial constants for the normal, β-d2, α-d2, α-d4 and d6 isotopic species is analysed using recently published puckering potential functions. These inertial data are then used to determine the following structural parameters in the planar ring configuration: r(C-O) = 1·448(5) Å, r(C-C) = 1·546(5) Å, r(C-Hα) = 1·092(5) Å, r(C-Hβ) = 1·087(5) Å, ∢ CαOCα = 91·9(10)°, ∢ CαCβCα = 84·6(10)°, ∢ HαCαHα = 110·0(5)°, ∢ HβCβHβ = 109·6(5)°, ∢ OCαHα = 112·3(10)°. Supported in part by a grant from the National Science Foundation. Supported in part by a grant from the National Science Foundation. Notes Supported in part by a grant from the National Science Foundation.