Spectrochim Acta A Mol Biomol Spectrosc
January 2025
We have recorded the gas phase spectrum of isoprene at room temperature from the mid-infrared range and into the visible range (600 cm to 17050 cm). Absorption spectra were obtained by Fourier transform infrared, conventional dispersion ultraviolet-visible-near-infrared and cavity ring-down spectroscopy to cover the entire range with a resolution comparable to that of the instruments on the James Webb Space Telescope. We have assigned the CH-stretching fundamental and overtone bands corresponding to the Δv=1-6 transitions based on anharmonic vibrational calculations using normal mode and local mode models, for the lower- and higher-energy regions, respectively.
View Article and Find Full Text PDFPrevious theoretical investigations of the reactions between an OH radical and a nucleobase have stated the most important pathways to be the C5-C6 addition for pyrimidines and the C8 addition for purines. Furthermore, the abstraction of a methyl hydrogen from thymine has also been proven an important pathway. The conclusions were based solely on gas-phase calculations and harmonic vibrational frequencies.
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