Isobutane Infrared Bands: Partial Rotational Assignments, ab Initio Calculations, and Local Mode Analysis
收藏Figshare2019-06-28 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Isobutane_Infrared_Bands_Partial_Rotational_Assignments_ab_Initio_Calculations_and_Local_Mode_Analysis/8865800
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High-resolution infrared spectra of the symmetric top isobutane CH(CH3)3 were assigned with the help of ab initio calculations. The strong parallel band ν5(a1) with an origin at 1396.54741(76) cm–1 and the ν4(a1) mode, the CH2 scissors, at 1478.20363(41) cm–1 were rotationally analyzed. The bands in the C–H stretching region were assigned with the help of an anharmonic calculation and a local mode analysis.
创建时间：
2019-06-28
