Vibronic Spectroscopy of Jet-Cooled 1,4-Phenylene Diisocyanide

Astronomy and Astrophysics – Astronomy

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Scientific paper

Titan, the sixth moon of Saturn, is regarded as a model system for studies of primordial Earth due to a similar atmosphere (>95% N2), and the presence of a methane cycle comparable to the water cycle on Earth. The organic chemistry in Titan's atmosphere occurs via ion, radical, and neutral pathways. To date, studies have been conducted that account for the reactions that lead to the formation of benzene (78 amu). Data from the Cassini Mission verifies the presence of compounds at 78 amu and greater, suggesting the presence of benzene and possibly benzene-based derivatives. The presence of nitrogenous species such as HC3N, C2N2, and NH3 opens up the possibility of nitrogen containing benzene derivatives.
Among the nitrogen-containing molecules of interest are isocyanides (also called isonitriles) which the R-NC group. The spectroscopy and photochemistry of isonitriles is less well understood than the nitrile counterparts, especially when bonded to aromatic rings. One of the isonitriles, 1,4-phenylene diisocyanide (1,4-PDI) is particularly interesting because it shares the same (nominal) mass as naphthalene (128 amu).
This poster will present results of a gas phase, jet-cooled spectroscopy study of 1,4-PDI. A fluorescence excitation spectrum spanning the range 35,500-44,100 cm-1 (226.5-281.5 nm) has been recorded. The S0-S1 origin is a weak band located at 35,566 cm-1. The spectrum in the S1 region is dominated by vibronic coupling to the S2 state. Dispersed fluorescence spectra will be presented that uncover and characterize the vibronic coupling. We have also located the S0-S2 origin 5687 cm-1 above the S0-S1 origin. Evidence will be presented for the coupling of the S2 levels with nearby S1 levels and for internal conversion from S2 to S1 on the timescale of the fluorescence.

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