Synthesis and investigation of structural, optical, dielectric and electronic properties of a new hybrid: [C13H21N2O2](Cd(SCN)3)
- 23 Downloads
A new ferroelectric relaxor: [C13H21N2O2](Cd(SCN)3) procainium tris(thiocyanato) cadmiate(II) was synthesized and studied by single-crystal XRD. This compound crystallizes in the orthorhombic system with acentric space group Pna21. The crystal structure is formed of discrete ionic entities (C13H21N2O2)+ and [Cd(SCN)3]−. The cadmium atom has 3N3S hexa coordinated octahedral geometry. The sulfur atoms and the nitrogen atoms are in facial mode (fac). Each pair of cadmium atoms is triply bridged by μ-1,3-SCN–bridge. Consequently, a linear polymeric chain is formed. The procainium cations are bonded to these chains by hydrogen-bonding contacts and π–ring interaction. DSC measurement shows that this compound exhibits a diffuse ferro–paraelectric phase transition around 356 K. Dielectric study exhibits a relaxor behavior characterized by the transition temperature shifts toward higher temperature with the rise of frequency. This behavior was validated by the Vogel–Fulcher relationship and the modified Curie–Weiss law. The diffuseness parameter was γ = 1.96. The optical band gap Eg = 2.20 eV was estimated by diffuse reflection spectroscopy (DRS) investigation.
KeywordsStructure Ferroelectric relaxor Vogel–Fulcher model Modulus Conductivity
The authors gratefully acknowledge the support of the Tunisian Ministry of Higher Education and Scientific Research for LR11ES46.
Compliance with ethical standards
Conflict of interest
On behalf of all authors, the corresponding author states that there is no conflict of interest.
- Agilent (2012) CrysAlis PRO and CrysAlis RED. Agilent Technologies, Yarnton, EnglandGoogle Scholar
- Brandenburg K, Berndt M (2001) Diamond Version 2.1. Crystal impact, BonnGoogle Scholar
- Dmol3 from Materials Studio (2017) Dassault Systèmes BIOVIA, San DiegoGoogle Scholar
- Mostafa MF, Youssef AA, Khyami SS (2005) The frequency dependence of the conductivity and dielectric relaxation of [(CH2)3(NH3)2]Cu(II)Cl4. Z Naturforsch 60a:507–511Google Scholar
- Venkataraman K (1971) The chemistry of synthetic dyes, vol 5. Academic Press Inc, LondonGoogle Scholar
- Yang G, Zhu H-G, Liang B-H, Chen X-M (2001) Syntheses and crystal structures of four metal-organic co-ordination networks constructed from cadmium(II) thiocyanate and nicotinic acid derivatives with hydrogen bonds. J Chem Soc Dalton Trans 14:580–585. https://doi.org/10.1039/b009129o CrossRefGoogle Scholar
- Zhang H, Wang X, Zhang K, Teo BK (1998) Crystal engineering in[(12C4)2Na][Cd(SCN)3]: first example of an anionic cadmium thiocyanate coordination solid with a sandwich [(12C4)2Na] + cation as spacer/controller, resulting in a hexagonal arrangement of antiparallel zigzag [Cd(SCN)3-]∞ Chains. Inorg Chem 37:3490–3496. https://doi.org/10.1021/ic971487o CrossRefGoogle Scholar
- Zhang H, Zelmon DE, Price GE, Teo BK (2000) Wide spectral range nonlinear optical crystals of one-dimensional coordination solids [Et4 N][Cd(SCN)3] and [Et4 N][Cd(SeCN)3] and the general design criteria for [R4 N][Cd(XCN)3] (where R = Alkyl and X = S, Se, Te) as NLO crystals. Inorg Chem 39(9):1868–1873. https://doi.org/10.1021/ic9912833 CrossRefGoogle Scholar
- Zhang H, Wang XM, Zelmon DE, Teo BK (2001) Synthesis and structure of [(DB24C8)Na][Cd(SCN)(3)]. Formation of a novel linear Cd center dot center dot center dot Cd center dot center dot center dot Cd chain with a mer-CdN3S3 coordination configuration and a new coiled [(DB24C8)Na](+) cation. Inorg Chem 40:1501–1507. https://doi.org/10.1021/ic0001762 CrossRefGoogle Scholar
- Zollinger H (2003) Color chemistry: syntheses, properties, and applications of organic dyes and pigments. Wiley, New YorkGoogle Scholar