Vibronic spectroscopy of a nitrile/isonitrile isoelectronic pair: para-diisocyanobenzene and para-isocyanobenzonitrile.

The ultraviolet spectroscopy of isoelectronic pair para-diisocyanobenzene (pDIB) and para-isocyanobenzonitrile (pIBN) has been studied under gas-phase, jet-cooled conditions. These molecules complete a sequence of mono and disubstituted nitrile/isonitrile benzene derivatives, enabling a comparison of the electronic effects of such substitution. Utilizing laser-induced fluorescence (LIF) and resonant two-photon ionization (R2PI) spectroscopy, the S0-S1 electronic origins of pDIB and pIBN have been identified at 35,566 and 35,443 cm(-1), respectively.