Abstract
The high-resolution infrared spectrum of isoprene (C5H8) has been observed in the region of the ν26 band near 992 cm−1 using a quantum cascade laser-based spectrometer. Five prominent Q-branch features were observed and have been assigned to the ν26 band, the ν17 band, and three hot bands of these fundamental transitions. Supporting calculations of the anharmonic transition frequencies and excited state rotational constants were performed at the MP2/cc-pVTZ level of theory and were used to help assign and fit the observed features. Approximate excited state rotational constants for the ν26 and ν17 bands have been obtained by fitting the contours of the observed Q-branch features.
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