Synthesis, structure, third-order nonlinear optical properties and Hirshfeld surface analysis of tetrakis(azepanium) hexachlorostannate(IV) dichloride and tetrakis(azepanium) hexabromostannate(IV) dibromide

The new organic-inorganic hybrids of tetrakis(azepanium) hexachlorostannate(IV) dichloride (1) and tetrakis(azepanium) hexabromostannate(IV) dibromide (2) crystals have been grown after slow evaporation of the solvent and characterized through single-crystal X-ray diffraction analysis. The characteristic functional groups present in the compounds are confirmed by FT IR analysis. The direct band gap values for the compounds are estimated by the application of Kubelka-Munk function. Photoluminescence studies exhibit fluorescent emission of both the compounds in the solid-state at room temperature. TG/DTA analysis reveals the thermal pattern of the compounds. Bond valence sum (BVS) calculation confirmed the formal oxidation state of tin to be +4. Z-scan studies very much reveal that both the compounds exhibit significant third-order nonlinear optical response. Investigation of the intermolecular interactions and crystal packing using Hirshfeld surface analysis, derived by single-crystal XRD data, reveals the close contacts associated with strong interactions. (C) 2020 Elsevier B.V. All rights reserved.

Automated summary

Two new organic-inorganic hybrid crystals have been grown and characterized through various analyses, showing significant optical and thermal response properties in the solid state.