Ricerc@Sapienza

Anionic adducts of 1,3,5-trinitrobenzene (TNB) with deprotonated pyrrolidine (Pyr), imidazole (Im), acetone (Ac) and acetylacetone (Acac) have been delivered into the gas phase by electrospray ionization.The so-formed ions, TNB-Nu?(Nu = Pyr, Im, Ac, Acac), have been interrogated by IRMPD spectroscopy inthe fingerprint range. DFT calculations at B3LYP/6-311++G(d,p) level have been performed for a survey of candidate structures. All adducts conform to anionic sigma-complexes (Meisenheimer complexes).

The primary complex obtained from cisplatin and l-histidine in water has been detected and isolated by electrospray ionization. The so-obtained cis-[PtCl(NH3)2(histidine)]+ complex has been characterized in detail by high-resolution mass spectrometry (MS), tandem MS, IR multiple photon dissociation (IRMPD) spectroscopy, and by quantum chemical calculations. The structural features revealed by IRMPD spectroscopy indicate

The chemical properties accounting for the operation of a valuable matrix used in matrix assisted laser desorption ionization (MALDI) to perform mass spectrometry imaging (MSI), namely 3-(4,5-bis(dimethylamino)napthalen-1-yl)furan-2,5-dione (4-maleicanhydridoproton sponge, MAPS), have been elucidated also by comparison with the parent molecule 1,8-Bis(dimethylamino)naphthalene (so-called Proton Sponge, PS). Both compounds present the bis(dimethylamino) groups, apt to efficiently trap a proton imparting positive charge.