engleski

Optical spectra of nonlinear hydrogenated carbon chains

Carbon chains, pure and with other atoms attached, have been suggested as possible carriers of diffuse interstellar bands (DIBs). Carbon chains of various length may also play an important role in other astrochemical phenomena. Computational studies have shown that many isomers of C9H3 and C11H3 exist. Electron excitations for some of these isomers are measured and calculated, but only in a narrow spectral range. I presented optical spectra of C9H3 and C11H3 nonlinear chains in a broad spectral region of the near UV and visible part of the spectrum. The results are obtained using time-dependent density functional theory methods and pseudopotentials. Several exchange functionals were tested and results were compared. I also discussed a status of homogeneous and heterogeneous carbon chains in astrochemistry.

astrophysical materials; diffuse interstellar bands; density functional theory; optical spectra

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