Dual-Ligand-Oriented Design of Noncentrosymmetric Complexes with Nonlinear-Optical Activity

Jin Hua Li, Xiao Fan Jiang, Qi Wei*, Zhen Zhen Xue, Guo Ming Wang*, Guo Yu Yang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

When the N- and O-donor ligands are combined as coligands, two noncentrosymmetric (NCS) complexes of [Ni(p-bdc)(tipa)(H2O)2]2·H2O (1) and Ni(npdc)(tipa)H2O (2) [tipa = tris[4-(1H-imidazol-1-yl)phenyl]amine, p-H2bdc = 1,4-benzenedicarboxylic acid, and H2npdc = 2,6-naphthalenedicarboxylic acid] were achieved under solvothermal conditions. For both structures, N-donor ligands are responsible for the generation of a layered structure, while the O-donor ligands are hung on the layers and are responsible for enhancing the polarity, giving rise to the NCS structures. Because of the different connection modes between the metal centers and different carboxylate ligands (p-bdc2- in 1 and npdc2- in 2), 1 and 2 show some structural differences. The p-bdc2- ligands in 1 are suspended on the upper and lower sides of the [Ni(tipa)]n layers, while all of the npdc2- ligands in 2 hang on one side of the [Ni(tipa)]n layers and point in the same direction, which makes the two NCS complexes show phase-matchable behavior with different second-harmonic-generation (SHG) responses of about 0.9 and 1.5 times that of KH2PO4 (KDP), respectively. Theoretical studies reveal that charge transfers between Ni2+ and carboxylate ligands make the dominant contribution to the optical properties. It is expected that a dual-ligand strategy may guide the design of novel superior-performing NCS complexes.

Original languageEnglish
Pages (from-to)16509-16514
Number of pages6
JournalInorganic Chemistry
Volume61
Issue number41
DOIs
Publication statusPublished - 17 Oct 2022

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