NDLI: Formation of bis(μ-tetrazolato)dinickel(II) complexes with N,N,O-donor Schiff bases via in situ 1,3-dipolar cyclo-additions: isolation of a novel bi-cyclic trinuclear nickel(II)–sodium(I)

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Chatterjee, Sudipta Mondal, Tapan Kumar Chattopadhyay, Shouvik Das, Mithun Harms, Klaus
Description	Author Affiliation: Das M ( Department of Chemistry, Inorganic Section, Jadavpur University, Kolkata - 700 032, India. shouvik.chem@gmail.com.)
Abstract	A dinuclear and a novel bi-cyclic hetero trinuclear bis(μ-tetrazolato) bridged nickel(II) Schiff base complexes $[Ni_{2}(L^{1})_{2}(PTZ)_{2}]$ (1) and $[Ni_{2}(L^{2})_{2}(PTZ)_{2}Na(H_{2}O)]ClO_{4}·H_{2}O$ (2) {where $HL^{1}$ = 2-((2-(dimethylamino)ethylimino)methyl)-6-methoxyphenol, $HL^{2}$ = 2-((2-(methylamino)ethylimino)methyl)-6-methoxyphenol and HPTZ = 5-(2-pyridyl)tetrazole} have been synthesized by in situ 1,3-dipolar cyclo-addition and characterized by spectral analysis, X-ray crystallography, and variable-temperature magnetic susceptibility measurements. Both the complexes crystallize in monoclinic space group $P2_{1}/c.$ Both the complexes feature double μ-NN′-tetrazolato bridged dinickel(II) structures, in which each nickel(II) is coordinated meridionally by a depronated terdentate Schiff base $[(L^{1})^{−}$ for 1 and $(L^{2})^{−}$ for 2] and two nitrogen atoms of the $(PTZ)^{−}.$ A nitrogen atom from a symmetry related bridging $(PTZ)^{−}$ coordinates to complete the distorted octahedral geometry of nickel(II). The phenoxo and methoxo oxygen atoms from two $[NiL^{2}]$ units and a water molecule coordinate to a sodium(I) to form the unique bi-cyclic trinuclear nickel(II)–sodium(I)–nickel(II) core in complex 2. Very strong π⋯π stacking is observed in complex 2 to form a supramolecular chain. The variable-temperature (1.8–300 K) magnetic susceptibility measurements show the presence of anti-ferromagnetic coupling between two nickel(II) centers for both complexes with J = −2.14(1) $cm^{−1}$ (for 1) and J = −1.20(2) $cm^{−1}$ (for 2). To obtain a better understanding of the magnetic exchange mechanism, quantum mechanical (DFT) calculations have been performed. The calculated J values $[J_{theo}$ = −4.53 $cm^{−1}$ (for 1) and $J_{theo}$ = −2.48 $cm^{−1}$ (for 2)] are in agreement with the values obtained experimentally.
ISSN	14779226
Issue Number	7
Volume Number	43
e-ISSN	13645447
Journal	Dalton Trans.
Language	English
Publisher	Royal Society of Chemistry
Publisher Date	2014-02-21
Publisher Place	Great Britain (UK)
Access Restriction	Subscribed
Subject Keyword	Nickel Chemistry Organometallic Compounds Sodium Electrochemistry Magnetic Phenomena Models, Molecular Molecular Conformation Chemical Synthesis Quantum Theory Schiff Bases Spectrum Analysis Journal Article Research Support, Non-U.S. Gov't
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

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