The 2780 Å absorption system of thiophosgene |
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Authors: | ER Farnworth GW King |
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Institution: | Department of Chemistry, McMaster University, Hamilton, Ontario, Canada |
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Abstract: | The vapor phase absorption spectrum of thiophosgene (Cl2CS) in the 2500–2900 Å region consists of a broad intense band (. On the red side of this a vibrationally discrete structure is found which becomes increasingly diffuse and merges into the broad band as the wavelength is decreased. It is shown that this vibrational structure can be explained as due to a , electronic transition between a planar ground state and a pyramidal excited state of the molecule. In the latter state, the CS stretching mode ν1′(a1) = 681 cm?1 and the CCl bending mode ν3′(a1) = 147 cm?1. From the inversion doublet splitting of the out-of-plane mode ν4′(b1), the barrier to inversion is calculated to be ~126 cm?1, with an equilibrium out-of-plane angle of ~20°. |
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