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Data · collection · 2016

Anion-dependent structural diversity of cadmium(II) complexes: synthesis, crystal structures, luminescence properties, and unusual C-H/σ supramolecular interactions involving σ-aromatic M 2 X 2 cores

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Four complexes based on N,N′-bis(2-pyridylmethylene)-1,3-propanediamine (L) and different Cd(II) salts have been synthesized and characterized by single-crystal X-ray diffraction analysis.

Description

The complexes are [Cd 2 (L) 2 (μ-Cl) 2 ](ClO 4 ) 2 ( 1 ), [Cd 2 (L) 2 (μ-Br) 2 ](ClO 4 ) 2 ( 2 ), [Cd(L)I](ClO 4 ) ( 3 ), and [Cd(L)(NCS) 2 ] ( 4 ). L exhibits the same coordination mode in 1 – 4 .

The radius of each anion plays a role in affecting the structures and luminescent intensities of the final products. CdCl 2 , CdBr 2 , and CdI 2 react with L to produce chloride or bromido-bridged binuclear complexes and mononuclear iodido complex, respectively, whereas an unusual mononuclear trigonal prismatic (TP) 4 is obtained when thiocyanate was used as a coligand. Photoluminescence properties of all the complexes show that the trend of fluorescence intensity is 1 > 4 > 2 > 3 .

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All four complexes exhibit different supramolecular interactions such as C–H/σ, π – π , and C–H/π and hydrogen bonding interactions. The experimental findings are complemented by density functional theory (DFT) calculations.

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DataCite10.6084/m9.figshare.c.286680112 d agoJSON v1
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