Microwave spectrum, dipole moment and structure of 1,1-difluorocyclohexane

Abstract

From the analysis of the microwave rotational spectrum of 1,1-difluorocyclohexane in the frequency region 8–40 GHz the rotational constants ( A = 3191.781, B = 1759.768, C = 1512.293 MHz), the centrifugal distortion coefficients ( D J = 124 × 10 −4, D JK = 2.92 × 10 −4, D K = -8.20 × 10 −3) and the dipole moment and its components (μ = 2.556, μ a = 2.415, μ b = 0, μ c = 0.837 debye) have been derived. Assuming that the CC and CH distances are the same as those of propane and that the ring structure in the chair form is symmetrical, the following structural parameters are obtained: ∠CCC = 111.95°, ∠FCF = 108.68°, C–F = 1.356 Å.