The Infra-Red Spectrum of Chloroacetylene and Deuterochloroacetylene

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Abstract
The vapor phase infra‐red spectra of the molecules HCCCl and DCCCl have been investigated in the region 2μ to 30μ, and four of the five fundamentals have been identified for each molecule. Force constants have been calculated for the stretching modes of vibration assuming a linear structure. The bond stretching force constants have the values: fCH = 5.88, fCC = 14.9, fCCl = 5.51 all in units of 105 dynes/cm. The effect of resonance between the covalent structure, H–C≡C–Cl, and the structure H–C=C=Cl+ in stiffening the carbon‐chlorine bond is discussed.