Adsorption of thiols of varying structures bearing amine, acid or aromatic functionalities was characterised by Polarisation Modulation Infrared Absorption Spectroscopy (PM-IRRAS). The so functionalised surfaces were then submitted to atmospheres containing traces of 2,4-dinitrotrifluoromethoxybenzene and gas capture was evaluated by Quartz Crystal Microbalance (QCM). The selectivity of these new sensors was also evaluated thanks to exposures to solvents: ethanol, methylethylketone, toluene and dichloromethane. The QCM response appeared to be the best one, high and specific to the nitroaromatic, for aromatic amine functions.