Isobutane Infrared Bands: Partial Rotational Assignments, ab Initio Calculations, and Local Mode Analysis
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https://figshare.com/articles/dataset/Isobutane_Infrared_Bands_Partial_Rotational_Assignments_ab_Initio_Calculations_and_Local_Mode_Analysis/8865803
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资源简介：
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
