L. Scharpen, J. Wollrab, D. Ames
Sep 1, 1968
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Journal of Chemical Physics
Abstract
The microwave spectra of cyclohexene, cyclohexene‐d10, and 3,3,6,6‐cyclohexene‐d4 have been assigned. Subject to certain assumptions, the nine moments of inertia were least‐squares fitted to obtain the structural parameters ∢C1–C2–C3 = 123.3°, ∢C2–C3–C4 = 111.6°, ∢C3–C4–C5 = 110.3°, ∢C–C–H (methylene) = 109.9°, ∢C–C–H (ethylene) = 119.5°, and θ=30.1°, where θ is the angle between the C1–us;C2 and C4–C5 bonds projected on the a–c principal axis plane. θ measures the deviation of the ring from planarity. The assumptions related to symmetry were (1) the molecular point group is C2; (2) the methylene groups are symmetric with equal C–C–H angles; and (3) the ethylene group and two adjacent carbons lie in a plane. The bond lengths were taken to be r(C1 –C2) = 1.34 A, r(C2–C3) = 1.51 A, r(C3–C4) = 1.53 A, r(C4–C5) = 1.53 A, r(C–H) (ethylene) = 1.09 A, and r(C–H) (methylene) = 1.10 A. Stark effect measurements yielded μb = 0.331 D for the common isotopic species and showed that μb is unchanged (within the experim...