HgC4H4O6: A mercury tartrate exhibits phase matchable second harmonic generation effect

• Published in: Inorganic chemistry communications Vol. 164; p. 112433
• Main Authors: Sun, Yue-Ling, Gong, An-Hua
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.06.2024
• Subjects: Crystal structure; Nonlinear optics; Tartrate; Theoretical calculation; Tartrate; Theoretical calculation; Nonlinear optics; Crystal structure
• ISSN: 1387-7003; 1879-0259
• DOI: 10.1016/j.inoche.2024.112433

HgC4H4O6, a metal tartrate with {[Hg2O9.5]15−}∞ double chain, was successfully prepared, exhibiting a SHG effect of 0.54 times KDP and phase matching capability. [Display omitted] •The chiral metal tartrate, HgC4H4O6, is obtained, which has the unique {[Hg2O9.5]15−}∞ double-stranded structure.•HgC4H4O6 shows SHG responses (0.54 × KDP) and phase-matchable behaviors.•Theoretical calculations on electronic structure and optical properties are performed. Tartrate has been significant ligand for their ability to producing diverse chiral structures and hence the promising optical properties. A metal tartrate, HgC4H4O6, has been obtained via hydrothermal route. It crystallizes in an orthorhombic space group of P212121 and has the unique structure of {[Hg2O9.5]15−}∞ double chains gradually connected by the O atoms shared by [HgO7]12− unit. HgC4H4O6 exhibits a phase matchable second harmonic generation effect (SHG) about 0.54 times of KH2PO4 (KDP). Crystal structure analyses, optical performance measurements, and theoretical calculations of HgC4H4O6 were presented in this work.