High resolution anharmonic infrared absorption spectra of polycyclic aromatic hydrocarbons Vincent Esposito, Christiaan Boersma, Louis J. Allamandola NASA Ames Research Center, Moffett Field, CA 94035-1000 USA Emission from polycyclic aromatic hydrocarbons (PAHs) is believed to dominate the infrared (IR) spectra of a wide variety of astronomical objects and environments. Quantum chemically computed PAH spectra, combined with experimental studies, are indispensable in analyzing and interpreting astronomical observations. To provide a foundation for the analysis of the high-fidelity JWST data, new computational tools have been developed at NASA Ames to produce fully anharmonic IR absorption spectra of various PAHs with the ultimate goal of generating cascade emission spectra.
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