Naslov
Optical spectra of nonlinear hydrogenated carbon chains

Autori
Bilalbegović, Goranka

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, znanstveni

Skup
Theoretical and Computational Astrochemistry

Mjesto i datum
Pisa, Italija, 30.08.2012. - 01.09.2012

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Međunarodna recenzija

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

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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