Abstract

A new noncentrosymmetric Zn(II) complex with the monodentate ligand 2-amino-5-chloropyridine (AClPy), ZnCl2(C5H5ClN2)2, has been prepared at room temperature and characterized by single crystal X-ray diffraction, 13C CP-MAS-NMR and IR spectroscopies. The basic coordination pattern of the AClPy coordinated metal cations is slighly distorted tetrahedral. The crystal structure is characterized by ZnCl2N2 tetrahedra interconnected via N-H···Cl hydrogen bonds generated by the NH2 amino group to form chains extending along the (a-c) direction. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance as evidenced by bond lengths and angles. The crystal structure is stabilized by sets of intra and intermolecular hydrogen bonds. The 13C CP-MAS NMR spectrum is discussed and the vibrational absorption bands are identified by infrared spectroscopy and theoretical calculations.

Highlights

  • The design and fine tuning of ligands are extremely important aspects of coordination chemistry

  • As part of our continued involvement in the investigation of metal complexes of nitrogen containing ligands such as Schiff bases [18], we report here the synthesis and the characterization of a new Zn(II) complex with the monodentate ligand 2-amino-5-chloropyridine)], AClPy

  • A new noncentrosymmetric Zn(II) complex with the ligand 2-amino-5-chloropyridine has been prepared at room temperature

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Summary

INTRODUCTION

The design and fine tuning of ligands are extremely important aspects of coordination chemistry. Among ligands commonly used in coordination chemistry, Schiff bases are an extremely important class, thanks to their facile synthesis, and tunable steric and electronic properties [1, 2]. The design of organic aromatic conjugated compounds and organic-inorganic polar crystals has been studied for over twenty years because some of them exhibit nonlinear optical coefficients [14,15,16]. In this type of materials, the nonlinear optical response can be explained primarily by an anharmonic distortion of the electron density distribution inside the molecules due to the intense electric field of the applied optical pulse [17]. This compound, which crystallizes in a non-centrosymmetric space group, could be a good candidate material for nonlinear optical applications

Chemical preparation
X-ray diffraction
DFT calculations
Structure description
NMR spectroscopy
IR absorption spectroscopy
Conclusion

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