High-resolution FTIR measurement and analysis of the v3 band of C2H3D

• Main Authors: Lebron, Gissela B., Tan, T. L.
• Format: text
• Published: Animo Repository 2010
• Subjects: Ethylene; Fourier transform infrared spectroscopy; Biological and Chemical Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/5786
• Institution: De La Salle University

The Fourier transform infrared (FTIR) spectrum of the ν3 band of C2H3D was measured at an unapodized resolution of 0.0063cm−1 in the 1240–1340cm−1 region. Rovibrational constants for the upper state (ν3=1) up to five quartic and two sextic centrifugal distortion terms had been obtained by assigning and fitting a total of 1037 infrared transitions using a Watson’s A-reduced Hamiltonian in the Ir representation. The root-mean-square deviation of the fit was 0.00051cm−1. The ground state rovibrational constants were also determined by a fit of 674 combination differences together with 21 microwave frequencies from the present infrared measurements with a root-mean-square deviation of 0.00040cm−1. The upper state (ν3=1) and ground state rovibrational constants of C2H3D represent the most accurate values obtained so far. The A-type ν3 band, centered at 1288.788826±0.000044cm−1 was found to be relatively free from local frequency perturbations. From the ν3=1 rovibrational constants obtained, the inertial defect Δ3 was 0.1619724±0.0000001μÅ2.