Synthesis, characterization and catalytic studies of chromium(III) porphyrin complex with axial cyanate ligands

We report the synthesis and spectroscopic, structural electrochemical characterization of a new chromium(III) coordination compound namely bis(cyanato-κN)[meso-tetratolylporphyrinato]chromate(III) (cryptand-222)potassium dihydrate [K(crypt-222)][CrIII(TTP)(NCO)2]·2H2O (complex I). This crystallizes in orthorhombic crystal system with non-centrosymmetric space group C2221. The chromium potassium atoms are located at special positions two-fold axis. lattice complex I is stabilized by O__H…O, C__H…O, C__H…N C__H…π intermolecular contacts involving negatively charged [CrIII(TTP)(NCO)2]− species, [K(crypt-222)]+ counterions two non-coordinated water molecules. Further insights on these weak provided Hirshfeld surface analysis. Molecular electrostatic potential (MEP) theoretical calculation reported. Cr(III) was efficient as catalyst decomposition Rhodamine B (RbH) dye hydrogen peroxide. also tested photocatalyst photodecomposition RbH molecular oxygen.