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Crystal Structures of the Complexes of Zn(II), Cd(II), and Hg(II) with 1,2,5-Selenadiazolopyridine: Ligation of N vs Se ?

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Abstract

The coordination ability of 1, 2, 5-selenadiazolopyridine (psd) towards MCl2 (M = Zn, Cd, Hg), and HgBr2 has been investigated. The 2:1 reactions of psd with MCl2 and HgBr2 afforded dimeric [(psd)2ZnCl2]2, polymeric [(psd)2CdCl2]n and monomeric (psd)2HgBr2 complexes. The 1:1 reactions of psd with HgX2 (X = Cl, Br), gave only polymeric complexes i.e. [(psd)HgX2]n. Single crystal X-ray diffraction studies of the complexes reveal that psd ligand coordinates to the metal ions either through azole N or pyridine N. In no case, coordination through the selenium donor was observed. These observations are also supported by DFT calculations. Complex [(psd)2CdCl2]n is a 3D supramolecular framework extended by Cl→Cd dative bond, Se···Npy secondary bonding and C–H···Cl hydrogen bonding interactions.

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Acknowledgments

HBS thanks Department of Science and Technology (DST), New Delhi, for Ramanna fellowship and PS is grateful to the Indian Institute of Technology Bombay for a Post Doctoral Fellowship.

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  1. Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, 400076, India

    Puspendra Singh, Sagar Sharma & Harkesh B. Singh

  2. Department of Chemistry, Howard University, Washington, DC, 20059, USA

    Ray J. Butcher

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  1. Puspendra Singh
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  2. Sagar Sharma
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Correspondence to Harkesh B. Singh.

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Singh, P., Sharma, S., Singh, H.B. et al. Crystal Structures of the Complexes of Zn(II), Cd(II), and Hg(II) with 1,2,5-Selenadiazolopyridine: Ligation of N vs Se ?. Proc. Natl. Acad. Sci., India, Sect. A Phys. Sci. 84, 269–280 (2014). https://doi.org/10.1007/s40010-014-0146-4

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