Molecular structure of oxetane

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-H_α) = 1·092(5) Å, r(C-H_β) = 1·087(5) Å, ∢ C_αOC_α = 91·9(10)°, ∢ C_αC_βC_α = 84·6(10)°, ∢ H_αC_αH_α = 110·0(5)°, ∢ H_βC_βH_β = 109·6(5)°, ∢ OC_αH_α = 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.