Rotation of Hexamethylenetetramine Molecules Induces Reversible Electromagnetic Coupling Properties in Isothiocyanato-Nickel Complexes DOI Open Access

Adila Abuduheni,

Leilei Zhou,

Y.S. Yao

et al.

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(9), P. 4050 - 4050

Published: April 25, 2025

Multifunctional coupled hybrid materials have extremely high potential for application in a variety of complex scenarios owing to advantages such as versatility and controllable properties. In this study, novel functional material with electromagnetic coupling properties [Ni(NCS)4(C6H13N4)2] (1) was obtained by naturally evaporating an aqueous solution nickel chloride hexahydrate, hexamethylenetetramine (HMTA), potassium thiocyanate raw materials. Structure–property characterization revealed that 1 crystallized the P21/n space group two-dimensional (2D) network structure formed hydrogen-bonding interactions between neighboring complexes. Calculations using Gaussian program indicated HMTA exhibited pronounced spatial molecular rotation. This induced obvious reversible dielectric cycling near 240 K, giving rise semiconducting optical band gap 3.35 eV. Molecular rotation caused changes 2D structure, inducing short-range magnetic ordering temperature range 2–50 K. resulted formation ferromagnet presence distinct redox peak −0.2–0.8 V range. analyses showed is supramolecular rotation-induced multifunctional crystalline

Language: Английский

Rotation of Hexamethylenetetramine Molecules Induces Reversible Electromagnetic Coupling Properties in Isothiocyanato-Nickel Complexes DOI Open Access

Adila Abuduheni,

Leilei Zhou,

Y.S. Yao

et al.

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(9), P. 4050 - 4050

Published: April 25, 2025

Multifunctional coupled hybrid materials have extremely high potential for application in a variety of complex scenarios owing to advantages such as versatility and controllable properties. In this study, novel functional material with electromagnetic coupling properties [Ni(NCS)4(C6H13N4)2] (1) was obtained by naturally evaporating an aqueous solution nickel chloride hexahydrate, hexamethylenetetramine (HMTA), potassium thiocyanate raw materials. Structure–property characterization revealed that 1 crystallized the P21/n space group two-dimensional (2D) network structure formed hydrogen-bonding interactions between neighboring complexes. Calculations using Gaussian program indicated HMTA exhibited pronounced spatial molecular rotation. This induced obvious reversible dielectric cycling near 240 K, giving rise semiconducting optical band gap 3.35 eV. Molecular rotation caused changes 2D structure, inducing short-range magnetic ordering temperature range 2–50 K. resulted formation ferromagnet presence distinct redox peak −0.2–0.8 V range. analyses showed is supramolecular rotation-induced multifunctional crystalline

Language: Английский

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