Crystal and molecular structure of the new heterotrinuclear Fe2Ni complex with 3-hydroxy-2-naphthoic acid 
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GORINCHOY, Viorina, CUZAN, Olesea, SHOVA, Sergiu. Crystal and molecular structure of the new heterotrinuclear Fe2Ni complex with 3-hydroxy-2-naphthoic acid . In: Materials Science and Condensed Matter Physics, Ed. 9, 25-28 septembrie 2018, Chișinău. Chișinău, Republica Moldova: Institutul de Fizică Aplicată, 2018, Ediția 9, p. 126.
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Materials Science and Condensed Matter Physics
Ediția 9, 2018
Conferința "International Conference on Materials Science and Condensed Matter Physics"
9, Chișinău, Moldova, 25-28 septembrie 2018

Crystal and molecular structure of the new heterotrinuclear Fe2Ni complex with 3-hydroxy-2-naphthoic acid

 

CZU: 541.44+544+546

Pag. 126-126

Gorinchoy Viorina, Cuzan Olesea, Shova Sergiu
 
Institute of Chemistry
 
 
Disponibil în IBN: 4 februarie 2019


Rezumat

The class of μ3-oxo trinuclear clusters [1,2] is found to be of great scientific interest for various reasons: the diverse architecture and self-assembly in the crystal [3], their optical and catalytic properties [4,5], magnetic behaviour [6], their use as building blocks in polymeric systems [7], as well as for their use as precursors to obtain nanomaterials [8].  In this context we have synthesized and structurally characterized by single crystal X-ray method a new heterotrinuclear cluster with the composition [Fe2IIINiIIO(2-hnapa)6(H2O)3]·0.5DMA·4.5H2O, where 2-hnapa denotes the monodeprotonated 3-hydroxy-2-naphthoic acid and DMA = dimethylacetamide. According to single crystal X-ray studies, the complex has a molecular trinuclear structure (Fig.1) and crystallizes in the triclinic space group P-1 with the following unit cell parameters: a = 13.1774(10), b = 14,0359(8), c = 24,8261(13) (Å), α = 85.447(5)º, β = 88.718(5)º, γ = 62.379(7)º. In the almost molecular structure of the complex two Fe3+ and one Ni2+ ions occupy the vertexes of an equilateral triangle, with metal∙∙∙metal distances range from 3.25851(18) Å to 3.2975(3) Å. The IR spectrum of the [Fe2IIINiIIO(2-hnapa)6(H2O)3]·0.5DMA·4.5H2O complex comprises numerous absorption bands (Fig.2). The coordinated water molecules are characterised by the ν(OH) = 3238.5 cm-1 vibration. Some of the absorption bands in IR spectrum have been attributed as follows: ν(OH, CH) = 3188.2 cm-1, ν(C=O) (DMAA) = 1764.1 cm-1, νas(COO) = 1611.3, νs(COO) = 1464.4 cm-1, δ(OH)(naphthol) = 1349.7 cm-1, ν(C-OH)(naphthol) = 1294.7 cm-1, δ(OH)(R-OH) = 1243.9 cm-1. The absorption band at 670.2 cm-1 can be assigned to ν(FeO) stretching vibrations.  

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<description xml:lang='en' descriptionType='Abstract'><p>The class of &mu;3-oxo trinuclear clusters [1,2] is found to be of great scientific interest for various reasons: the diverse architecture and self-assembly in the crystal [3], their optical and catalytic properties [4,5], magnetic behaviour [6], their use as building blocks in polymeric systems [7], as well as for their use as precursors to obtain nanomaterials [8]. &nbsp;In this context we have synthesized and structurally characterized by single crystal X-ray method a new heterotrinuclear cluster with the composition [Fe2IIINiIIO(2-hnapa)6(H2O)3]&middot;0.5DMA&middot;4.5H2O, where 2-hnapa denotes the monodeprotonated 3-hydroxy-2-naphthoic acid and DMA = dimethylacetamide. According to single crystal X-ray studies, the complex has a molecular trinuclear structure (Fig.1) and crystallizes in the triclinic space group <em>P</em>-1 with the following unit cell parameters: <em>a </em>= 13.1774(10), <em>b </em>= 14,0359(8), <em>c </em>= 24,8261(13) (&Aring;), <em>&alpha; </em>= 85.447(5)&ordm;, <em>&beta; </em>= 88.718(5)&ordm;, <em>&gamma; </em>= 62.379(7)&ordm;. In the almost molecular structure of the complex two Fe3+ and one Ni2+ ions occupy the vertexes of an equilateral triangle, with metal∙∙∙metal distances range from 3.25851(18) &Aring; to 3.2975(3) &Aring;. The IR spectrum of the [Fe2IIINiIIO(2-hnapa)6(H2O)3]&middot;0.5DMA&middot;4.5H2O complex comprises numerous absorption bands (Fig.2). The coordinated water molecules are characterised by the &nu;(OH) = 3238.5 cm-1 vibration. Some of the absorption bands in IR spectrum have been attributed as follows: &nu;(OH, CH) = 3188.2 cm-1, &nu;(C=O) (DMAA) = 1764.1 cm-1, &nu;as(COO) = 1611.3, &nu;s(COO) = 1464.4 cm-1, &delta;(OH)(naphthol) = 1349.7 cm-1, &nu;(C-OH)(naphthol) = 1294.7 cm-1, &delta;(OH)(R-OH) = 1243.9 cm-1. The absorption band at 670.2 cm-1 can be assigned to &nu;(FeO) stretching vibrations. &nbsp;</p></description>
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