First far-infrared high-resolution analysis of the ν2 and ν4 bands of phosgene 35Cl2CO and 35Cl37ClCO. (17th December 2018)

• Record Type: Journal Article
• Authors: Flaud, J.-M.; Kwabia Tchana, F.; Lafferty, W. J.; Perrin, A.; Manceron, L.; Ndao, M.
• Is Part Of: Molecular physics. Volume 116:Number 23/24(2018)
• Page Start: 3463
• Page End: 3467
• Publication Date: 2018-12-17
• Subjects: Phosgene -- high resolution -- ν2, ν4 bands -- spectroscopic constants; Molecules -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Molécules -- Périodiques; Chimie physique et théorique -- Périodiques; 539.6.05
• DOI: 10.1080/00268976.2017.1390616
• Languages: English
• ISSNs: 0026-8976

Abstract

ABSTRACT: A Fourier transform spectrum of phosgene (Cl2 CO) has been recorded in the 17.3-μm spectral region at a temperature of 180 K and at a resolution of 0.00102 cm −1 using a Bruker IFS125HR spectrometer coupled to synchrotron radiation, leading to the observation of the ν2 and ν4 vibrational bands of the two isotopologues 35 Cl2 CO and 35 Cl 37 ClCO. The corresponding upper-state ro-vibrational levels were fit using a Hamiltonian model accounting for the A-type Coriolis interaction linking the rotational levels of the 2 1 and 4 1 vibrational states. In this way, it was possible to reproduce the upper-state ro-vibrational levels to within the experimental uncertainty, i.e. ∼0.30 × 10 −3 cm −1 . Very accurate rotational and centrifugal distortion and interaction constants were derived from the fit, together with the following band centres: ν0 (ν2, 35 Cl2 CO) = 572.526299(30) cm −1, ν0 (ν4, 35 Cl2 CO) = 582.089026(30) cm −1, ν0 (ν2, 35 Cl 37 ClCO) = 568.951791(35) cm −1 and ν0 (ν4, 35 Cl 37 ClCO) = 581.758279(35) cm −1 . GRAPHICAL ABSTRACT: