Closed-shell polycyclic aromatic hydrocarbon cations: a new category of interstellar polycyclic aromatic hydrocarbons
نویسندگان
چکیده
منابع مشابه
Closed-shell polycyclic aromatic hydrocarbon cations: a new category of interstellar polycyclic aromatic hydrocarbons.
Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects on the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representative...
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ژورنال
عنوان ژورنال: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
سال: 2001
ISSN: 1386-1425
DOI: 10.1016/s1386-1425(00)00453-4