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<p>The development of sustainable multifunctional molecular materials capable of integrating optical, electrical, electromechanical, and magnetic functionalities within a single-crystalline platform is of considerable interest for next-generation photonic and electronic technologies. In this work, a non-centrosymmetric nickel(II)-based coordination crystal, bis(3-oxo-1,3-diphenylprop-1-en-1-olato-κ<sup>2</sup>O′)-bis(1,4-dioxane-κ<sup>1</sup>O)nickel(II) (PON), was successfully grown by the slow evaporation solution technique and systematically investigated. Single-crystal X-ray diffraction confirmed an orthorhombic non-centrosymmetric structure (space group Cmc2₁), while high-resolution X-ray diffraction revealed excellent crystalline perfection with a rocking-curve full width at half maximum of 10.68 arcsec. The crystal exhibited high optical transparency (~ 80%) in the visible region with a UV cut-off at 336&#xa0;nm and demonstrated strong nonlinear optical activity with a second harmonic generation efficiency approximately four times greater than that of KDP. Piezoelectric measurements yielded a d₃₃ coefficient of 13.4357 pC/N, while ferroelectric studies revealed reproducible polarization switching with low leakage current density. Room-temperature magnetic measurements further demonstrated weak ferromagnetic behaviour arising from coordination-mediated magnetic interactions. The simultaneous coexistence of optical transparency, enhanced nonlinear optical response, piezoelectricity, ferroelectricity, and magnetic ordering within a single Ni(II)-based coordination crystal represents a rare multifunctional materials platform. These findings highlight the potential of PON for low-power photonic devices, electromechanical transducers, multifunctional sensors, and future integrated ferroic technologies. Although the crystal structure of PON has previously been reported, the present study provides the first comprehensive investigation of its structure-dependent optical, nonlinear optical, piezoelectric, ferroelectric, leakage current and magnetic properties, revealing the coexistence of multiple functional responses within a single non-centrosymmetric Ni(II) coordination crystal.</p>

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Non-centrosymmetric nickel(II) coordination sustainable crystal exhibiting coupled optical, ferroelectric, piezoelectric and magnetic properties

  • 期刊论文

  • 发表日期：

    2026年7月6日

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  • P. Vivek

摘要

The development of sustainable multifunctional molecular materials capable of integrating optical, electrical, electromechanical, and magnetic functionalities within a single-crystalline platform is of considerable interest for next-generation photonic and electronic technologies. In this work, a non-centrosymmetric nickel(II)-based coordination crystal, bis(3-oxo-1,3-diphenylprop-1-en-1-olato-κ2O′)-bis(1,4-dioxane-κ1O)nickel(II) (PON), was successfully grown by the slow evaporation solution technique and systematically investigated. Single-crystal X-ray diffraction confirmed an orthorhombic non-centrosymmetric structure (space group Cmc2₁), while high-resolution X-ray diffraction revealed excellent crystalline perfection with a rocking-curve full width at half maximum of 10.68 arcsec. The crystal exhibited high optical transparency (~ 80%) in the visible region with a UV cut-off at 336 nm and demonstrated strong nonlinear optical activity with a second harmonic generation efficiency approximately four times greater than that of KDP. Piezoelectric measurements yielded a d₃₃ coefficient of 13.4357 pC/N, while ferroelectric studies revealed reproducible polarization switching with low leakage current density. Room-temperature magnetic measurements further demonstrated weak ferromagnetic behaviour arising from coordination-mediated magnetic interactions. The simultaneous coexistence of optical transparency, enhanced nonlinear optical response, piezoelectricity, ferroelectricity, and magnetic ordering within a single Ni(II)-based coordination crystal represents a rare multifunctional materials platform. These findings highlight the potential of PON for low-power photonic devices, electromechanical transducers, multifunctional sensors, and future integrated ferroic technologies. Although the crystal structure of PON has previously been reported, the present study provides the first comprehensive investigation of its structure-dependent optical, nonlinear optical, piezoelectric, ferroelectric, leakage current and magnetic properties, revealing the coexistence of multiple functional responses within a single non-centrosymmetric Ni(II) coordination crystal.