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- W2064524012 abstract "The visible asborption spectrum of thiophosgene has been recorded under conditions of high resolution and long path length and has been assigned as an π∗ ← n, ã3A2 ← X̃1A1 electronic transition. Progressions in ν1′, ν2′, ν3′, ν4′, ν1″, ν3″, and ν4″ have been identified in the spectrum and have been analyzed in terms of vibronic transitions between a planar ground state and a nonplanar excited state. A barrier height of 726 cm−1 and a nonplanar equilibrium angle of 32° were obtained for the upper state from a fit of the energy levels of a Lorentzian function to the observed levels in ν4. The origin of the system was assigned to a band at 17 492 cm−1. The oscillator strength of the singlet-triplet system relative to the corresponding singlet-singlet system was obtained by comparing the intensities of selected singlet and triplet bands in their region of spectral overlap. The high intensity, f = 2 × 10−5, observed for the transition results from a spin-orbit coupling between the ã3A2(π∗,n) state and the 1A1(π∗,π) state. This mechanism predicts that the major bands in the triplet system should be polarized in the direction of the thiocarbonyl bond." @default.
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- W2064524012 date "1973-11-01" @default.
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- W2064524012 title "A vibronic analysis of the , electronic transition in thiophosgene" @default.
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- W2064524012 doi "https://doi.org/10.1016/0022-2852(73)90198-7" @default.
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