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Theoretical And Computational Studies Of Interstellar C2nH And Sic2m+1H, Ryan C. Fortenberry

Ryan C. Fortenberry

This work focuses on computation of simulated spectra the C_2nH family (n = f1, 2, : : :g) of carbon chain rad- ical molecules and their silicon analogues, SiC_2m+1H (m = f0, ng), that are potential carriers of the Di_use Interstellar Bands (DIBs). High-level quantum chem- ical computations for the ground- and excited-states of these radicals indicate agreement with experimen- tal data that the ground-state of C₂H is ²Ʃ⁺ while that of C₆H, SiCH, SiC₃H, and SiC₅H is ²π. On the other hand, most of …