Structural study of Ca(II) coordination compound with triethanolamine and 4-nitrobenzoic acid

Gorobeţ Anastasia; Crişan Manuela E.; Petric M.; Bourosh Pavlina; Croitor Lilia

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759

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GOROBEŢ, Anastasia, CRIŞAN, Manuela E., PETRIC, M., BOUROSH, Pavlina, CROITOR, Lilia. Structural study of Ca(II) coordination compound with triethanolamine and 4-nitrobenzoic acid. In: Revue Roumaine de Chimie, 2018, vol. 63, pp. 1175-1179. ISSN 0035-3930.

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Revue Roumaine de Chimie

Volumul 63 / 2018 / ISSN 0035-3930

Structural study of Ca(II) coordination compound with triethanolamine and 4-nitrobenzoic acid

Pag. 1175-1179

Gorobeţ Anastasia¹, Crişan Manuela E.², Petric M.², Bourosh Pavlina¹, Croitor Lilia¹

¹ Institute of Applied Physics,
² Institute of Chemistry Timisoara of the Romanian Academy

Proiecte:

20.80009.5007.02 Materiale nanostructurate avansate pentru aplicații termoelectrice și senzori

Disponibil în IBN: 22 aprilie 2019

Rezumat

The synthesis of a new calcium complex based on biologically active ligands with N and O donor atoms is an attractive research topic in modern synthetic chemistry. Herein we present the formation of AB2- type salt [Ca(TEA) ₂ ](4NB) ₂ (1) by an easy method, starting from CaF ₂ , 4-nitrobenzoic acid (4NBH) and triethanolamine (TEA). The crystal structure comprises one [Ca(TEA) ₂ ] ²⁺ complex cation and two 4NB- anions. In the complex cation, each TEA molecule behaves as an N,O,O',O'-tetradentate ligand, giving rise to an eight-coordinate Ca(II) ion with a distorted cubic configuration. The complex cation is H-bonded with outer-sphere 4NB- anions by intermolecular O-H O hydrogen bond interactions. The intermolecular O-H O hydrogen bonds unite components in well-defined 1D supramolecular chain, which are further assembled in a supramolecular 2D layer via π- π stacking interactions.

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<title xml:lang='en'>Structural study of Ca(II) coordination compound with triethanolamine and 4-nitrobenzoic acid</title>
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<description xml:lang='en' descriptionType='Abstract'><p>The synthesis of a new calcium complex based on biologically active ligands with N and O donor atoms is an attractive research topic in modern synthetic chemistry. Herein we present the formation of AB2- type salt [Ca(TEA) <sub>2</sub> ](4NB) <sub>2</sub> (1) by an easy method, starting from CaF <sub>2</sub> , 4-nitrobenzoic acid (4NBH) and triethanolamine (TEA). The crystal structure comprises one [Ca(TEA) <sub>2</sub> ] <sup>2+</sup> complex cation and two 4NB- anions. In the complex cation, each TEA molecule behaves as an N,O,O&#39;,O&#39;-tetradentate ligand, giving rise to an eight-coordinate Ca(II) ion with a distorted cubic configuration. The complex cation is H-bonded with outer-sphere 4NB- anions by intermolecular O-H O hydrogen bond interactions. The intermolecular O-H O hydrogen bonds unite components in well-defined 1D supramolecular chain, which are further assembled in a supramolecular 2D layer via &pi;- &pi; stacking interactions.</p></description>
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