Esters of 1-coumarinylbenzylphosphonic acid-IR-spectroscopic and theoretical elucidation.

The IR-spectroscopic properties of three esters of 1-coumarinylbenzylphosphonic acid are elucidated both in solution and in solid-state. Linear-polarized IR-spectroscopy of oriented colloid suspensions in nematic host is used for experimental IR-characteristic band assignment in solid-state. Theoretical quantum chemical DFT calculations at B3LYP level of theory and 6-31++G** basis set are carried.

L-Leucinamide hydrogensquarate: spectroscopic and structural elucidation.

The hydrogensquarate [LeuNH(2)] (HSq) of L-leucinamide has been synthesized and its structure has been determined by single crystal X-ray diffraction. A three dimensional network is formed by hydrogen bonds with participation of the O=C-NH(2) function, the hydrogensquarate ion and the N(+)H(3) group [NH(2)..

Solid-state IR-LD spectroscopic and theoretical analysis of glycine-containing peptides and their hydrochlorides.

As part of an investigation on the coordination ability of peptides, structural analyses of the solid di-, tri, and tetrapeptides glycyl-glycine (GG), glycyl-glycyl-glycine (GGG), glycyl-glycyl-glycyl-glycine (GGGG), and their protonated hydrochlorides glycyl-glycine.HCl (GGH), glycyl-glycyl-glycine.HCl (GGGH), and glycyl-glycyl-glycyl-glycine.