Paper detail

Void induced molecule c23h12++ could reproduce the infrared spectrum (3 to 20 micron) of interstellar gas and dust

In order to find out a selected number of molecules to reproduce the infrared spectrum of interstellar gas and dust, model coronene molecules with void and charge have been computed using density functional theory. Among them, a single void induced cation C23H12++ have successfully reproduced a wide range spectrum from 3 to 20 micron of typical interstellar gas and dust. Well known astronoically observed emission peaks are 3.3, 6.2, 7.6, 7.8, 8.6, 11.2, 12.7, 13.5 and 14.3 micro meter. Whereas, calculated peaks of C23H12++ were 3.2, 6.4, 7.6, 7.8, 8.6, 11.4, 12.9, 13.5, and 14.4 micron meter. It should be noted that a single kind of molecule could reproduce very well not depending on the decomposition method using many polycyclic aromatic hydrocarbon (PAH) data. Such coincidence suggested that some astronomical chemical evolution may select a particular PAH. Molecular sructure of C23H12++ was dramatically deformed by the Jahn-Teller effect. There is a featured carbon skeleton having two pentagons connected to highly symmetrical five hexagons. Such unique structure brings above infrared mode.