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• W2053999605 abstract "Abstract A quasilinear molecular model is needed to account for the infrared absorption spectrum of HCNO and DCNO in the spectral region from 100 cm −1 to 1000 cm −1 . The observed systems of infrared bands arising from the ν 5 vibrational manifold have all been assigned. The rotational structure of the absorption bands at 225 cm −1 , 275 cm −1 , 315 cm −1 , and 317 cm −1 for HCNO has been resolved using a Fourier spectrometer. The rotational constants and the band centers have been determined for the above bands, which represent the transitions (0000 0 1 1 ) c ←0000 0 0 0 (0000 0 2 2 ) c,d ←(0000 0 1 1 ) c,d both components (0000 0 3 3 ) c,d ←(0000 0 2 2 ) c,d 0000 0 2 0 ←(0000 0 1 1 ) c . By means of the Ritz combination principle the infrared transitions could be used to build up the vibrational energy level scheme of the ν 5 vibrational mode for HCNO and DCNO. The data are only reconcilable with a potential function for ν 5 which exhibits a low barrier opposing linearity. Preliminary values of the potential parameters were obtained using different approximate theoretical approaches. A reinterpretation of the r 8 structure parameters of fulminic acid in the light of the quasilinear model leads to an explanation of the extraordinarily short CH internuclear distance of 1.027 A as the projection of a CH bond length of 1.060(5) A upon the heavy-atom axis. The isotopic shift upon deuteration observed in the infrared data indicate that the ν 5 fundamental vibration is primarily an HCN bending motion. The ν 4 fundamental vibration (skeletal bending motion) of HCNO is located at 537 cm −1 and does not exhibit any hot band structure which would be indicative of a perturbed potential function." @default.
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• W2053999605 date "1974-04-01" @default.
• W2053999605 modified "2023-10-16" @default.
• W2053999605 title "The bending-rotation spectrum of fulminic acid and deuterofulminic acid" @default.
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• W2053999605 doi "https://doi.org/10.1016/0022-2852(74)90170-2" @default.
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