A theoretical and electrochemical impedance spectroscopy study of the adsorption and sensing of selected metal ions by 4-morpholino-7-nitrobenzofuran.

The selectivity of a novel chemosensor, based on a modified nitrobenzofurazan referred to as NBD-Morph, has been investigated for the detection of heavy metal cations (Co, Pb, Mg, Ag, Cu, Hg, Ni2+, and Zn). The ligand, 4-morpholino-7-nitrobenzofurazan (NBD-Morph), was characterized using spectroscopic techniques including FT-IR and H NMR. Vibrational frequencies obtained from FT-IR and proton NMR (H) chemical shifts were accurately predicted employing the density functional theory (DFT) at the B3LYP level of theory.

Methylenecyanamide (CH═NCN) and ()- and ()-Iminoacetonitriles (NC-CH═NH), Dimers of Hydrogen Cyanide.

()- and ()-iminoacetonitriles (NCCH═NH), two hydrogen cyanide dimers, are described as key compounds in prebiotic chemistry. Among the many possible dimers of HCN with covalent bonds, even the second on the scale of thermodynamic stability, methylenecyanamide (CH═NCN), has been investigated little. We show that this compound can be isolated, is stable enough to give an adduct with a nucleophile or a diene, and can be easily generated under prebiotic conditions, highlighting a possible role in this medium.