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• W2002983492 abstract "The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(J) quartic distortion constants agree with experiment to within 3%. The known gas phase O-H stretch of NNOH(+) is 3330.91 cm(-1), and the vibrational configuration interaction computed result is 3330.9 cm(-1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the interstellar medium and the laboratory." @default.
• W2002983492 created "2016-06-24" @default.
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• W2002983492 date "2013-08-28" @default.
• W2002983492 modified "2023-10-03" @default.
• W2002983492 title "Protonated nitrous oxide, NNOH⁺: Fundamental vibrational frequencies and spectroscopic constants from quartic force fields" @default.
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• W2002983492 doi "https://doi.org/10.1063/1.4819069" @default.
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