Observation and assignment of a high-resolution FTIR-spectrum of T216O, DT16O and HT16O in the range of 4300 to 4700cm−1

Journal of Molecular Spectroscopy(2023)

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摘要
In the range of 4300 to 4700cm−1, we present analysis of the 2ν1, 2ν2+ν3 and ν1+ν3 bands of T216O, the 2ν1 and ν1+2ν2 of DT16O and the 2ν1 of HT16O. The analysed high-resolution spectrum has been obtained from a Bruker IFS 125HR Fourier-transform spectrometer with a resolution of 0.025cm−1 using an optical cell with an activity of 10GBq. For the in total 2436 lines an individual positional uncertainty of up to 3.4×10-5cm−1 and a systematic uncertainty of 7.5×10-4cm−1 could be achieved. Four of the six bands have been analysed for the first time, the ν1+ν3 band of T216O and the 2ν1 of HT16O have been analysed in previous works of our group. These datasets are extended by 527 new lines and a cross check is confirming the consistency between both works. A comparison of the assigned line positions to the variationally calculated predictions from the Tomsk database agrees with previous findings indicating that band-specific shifts and shifts depending on the rotational quantum numbers are observed leading to an overall difference of up to 0.3cm−1.
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关键词
Tritium,Water,T2O,DTO,HTO
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