CHARACTERIZATION OF VARIOUS O-BISGUANIDINOBENZENE-BENZOIC ACID COMPLEXES IN SOLID AND IN SOLUTION STATES

Stoichiometry-controlled complexation of o-phenylenebis(N,N'-dimethyl-N,N'-ethylene)guanidine (BG) and benzoic acid (BA), which is forming 1: n (n = 1 - 4) BG + BA systems, was observed in the solid state by X-ray structure analysis and in solution by using cold-spray ionization mass spectrometry (CSI-MS) and pulsed field gradient (PFG)-NMR diffusion. The relation of observed diffusion coefficient in solution phase and the volume of the corresponding complexes estimated by calculation of the solid state structure showed good linearity, which implies that the volume of the complexes would increase depend on the ratio of BA to BG.