From H₁₂C₄N₂CdI₄ to H₁₁C₄N₂CdI₃: a highly polarizable CdNI₃ tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.

ABSTRACT: In this study, we identify a novel class of second-order nonlinear optical (NLO) crystals, non-π-conjugated piperazine (H₁₀C₄N₂, PIP) metal halides, represented by two centimeter-sized, noncentrosymmetric organic-inorganic metal halides (OIMHs), namely H₁₂C₄N₂CdI₄ (P2₁2₁2₁) and H₁₁C₄N₂CdI₃ (Cc). H₁₂C₄N₂CdI₄ is the first to be prepared, and its structure contains a CdI₄ tetrahedron, which led to a poor NLO performance, including a weak and non-phase-matchable second harmonic generation (SHG) response of 0.5 × KH₂PO₄ (KDP), a small birefringence of 0.

SUBMITTER: Wu HY 

PROVIDER: S-EPMC10498671 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature