Lafferty, W.
, Flaud, J.
, Kwabia, F.
and Manceron, L.
(2015),
High resolution analysis of the nu1 and nu5 bands of phosgene 35Cl2CO and 35Cl37ClCO, Molecular Physics, [online], https://doi.org/10.1080/00268976.2015.1015638
(Accessed October 15, 2025)
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High resolution analysis of the nu1 and nu5 bands of phosgene 35Cl2CO and 35Cl37ClCO
Published
Author(s)
, Jean-Marie Flaud, F. Kwabia Tchana, L. Manceron
Abstract
Fourier transform spectra of phosgene (Cl2CO) have been recorded in the 11.75 μm and 5.47 μm spectral regions using a Bruker IFS125HR spectrometer at resolutions of 0.00102 cm-1 and 0.0015 cm-1 respectively leading to the observation of the ν5 and ν1 vibrational bands of the two isotopologues 35Cl2CO and 35Cl37ClCO . The corresponding upper state ro-vibrational levels were fit using Watson-type Hamiltonians and/or an Hamiltonian matrix accounting for resonance effects when necessary. In this way it was possible to reproduce the upper state ro-vibrational levels to within the experimental accuracy i.e. ~0.17 x10-3 cm-1. Very accurate rotational and centrifugal distortion constants were derived from the fit together with the following band centers: ν0(ν5, 35Cl2CO) = 851.012737(20) cm-1, ν0(ν5, 35Cl37ClCO) = 849.995778(50) cm-1, ν0(ν2 + ν3, 35Cl37ClCO) = 864.38678(20) cm-1 , ν0(ν1, 35Cl2CO) = 1828.202492(40) cm-1, ν0(ν1, 35Cl37ClCO) = 1827.246520(70) cm-1.Citation
Molecular Physics
Pub Type
Journals
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Keywords
high resolution infrared soectra, phosgene, Hamiltonian constants
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Created March 2, 2015, Updated November 10, 2018