Comprehensive structural and DFT analysis of a newly synthesized bismuth-based organic-inorganic hybrid material: in-depth insights into vibrational, optical, and photoluminescence properties of (C₈H₁₄N₂)₂[Bi₂Br₁₀]·2H₂O.

ABSTRACT: A newly synthesized bismuth-based organic-inorganic hybrid material, (C₈H₁₄N₂)₂[Bi₂Br₁₀]·2H₂O, was synthesized using a slow evaporation technique and thoroughly characterized to explore its structural, vibrational, optical, and electronic properties. Single-crystal X-ray diffraction confirmed its monoclinic crystal system with a centrosymmetric P2₁/c space group, featuring edge-sharing [Bi₂Br₁₀]^4- dimers interconnected via non-covalent interactions. Hirshfeld surface analysis and fingerprint plots revealed dominant H⋯Br and H⋯H interactions, highlighting the role of hydrogen bonding in stabilizing the crystalline architecture. Vibrational studies usi

SUBMITTER: Alibi A 

PROVIDER: S-EPMC12548366 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature