THE PREPARATION AND X-RAY STRUCTURAL STUDY OF COMPLEXES THAT CATALYZEISOCYANATE CYCLOTRIMERIZATION

A 1:1-complex of trinitrophenol with benzyldimethylamine (1) and a 1:1 :1-complex, the product of the interaction of benzyldimethylamine, gly cidyl phenyl ether, and phenol (2), have been synthesized and characte rized by means of X-ray analysis. Complex 1 is a precursor for the cat alysts of selective isocyanate cyclotrimerization, while complex 2 is one of those catalysts. In the crystal structure complex 1 forms H-bon ded cationic-anionic aggregates with proton transfer from phenol to th e N-atom of the tertiary amine. Complex 2 crystallizes as a monohydrat e (2a) with a strong H-bond between the quaternary ammonium and phenol ic components, and exists in crystals in the form of globular H-bonded dimeric hydrates. Possible pathways of dissociation of complex 2a are discussed. The data obtained may be used as a basis for further inter pretation of the regularities of cyclotrimerization of isocyanates cat alyzed by complexes of this type.