Structural study of Ca(II) AND Ni(II) coordination compounds with triethanolamine and 4-nitrobenzoic acid
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Clasificarea compuşilor organici. Compuşi element-organici (16)
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GOROBEŢ, Anastasia, CRIŞAN, Manuela E., PETRIC, M., BOUROSH, Pavlina, CROITOR, Lilia. Structural study of Ca(II) AND Ni(II) coordination compounds with triethanolamine and 4-nitrobenzoic 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. 119.
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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

Structural study of Ca(II) AND Ni(II) coordination compounds with triethanolamine and 4-nitrobenzoic acid

CZU: 547.1

Pag. 119-119

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
 
Disponibil în IBN: 17 ianuarie 2019


Rezumat

Triethanolamine is known as a versatile coordinating agent with different metallic ions, showing a diversity of coordination modes [1]. Our previous study shows the important role of alkanolammonium salts as molecular building blocks in providing interesting supramolecular networks via hydrogen bonds [2]. The interaction in the system Ca(II)/Ni(II), organic salt trietanolammonium 4-nitrobenzoate (TEA)(4-nbz) [2] and TEA (TEA = triethanolamine, 4-nbz = 4-nitrobenzoic acid) resulted in colorless crystalline solids of coordination compound [Ca(TEA)2](4-nbz)2 (1) and blue crystals of [Ni(TEA)2](4-nbz)2 (2).  Compound 1 crystallizes in triclinic P-1 (No. 2) space group: a=7.2948(5), b=8.9531(7), c=12.6963(9) Å, α=101.911(6), β=100.041(6), γ=97.548(6)°; while 2 in monoclinic P21/n (No.14) space group: a=13.5295(6), b=7.0717(2), c=16.5550(8) Å, β=106.555(5)°. The crystal structure of both compounds consist of the [M(TEA)2]2+ cation (figure) and 4-nbz– anions. Triethanolamine is known as a versatile coordinating agent with different metallic ions, showing a diversity of coordination modes [1]. Our previous study shows the important role of alkanolammonium salts as molecular building blocks in providing interesting supramolecular networks via hydrogen bonds [2]. The interaction in the system Ca(II)/Ni(II), organic salt trietanolammonium 4-nitrobenzoate (TEA)(4-nbz) [2] and TEA (TEA = triethanolamine, 4-nbz = 4-nitrobenzoic acid) resulted in colorless crystalline solids of coordination compound [Ca(TEA)2](4-nbz)2 (1) and blue crystals of [Ni(TEA)2](4-nbz)2 (2).  Compound 1 crystallizes in triclinic P-1 (No. 2) space group: a=7.2948(5), b=8.9531(7), c=12.6963(9) Å, α=101.911(6), β=100.041(6), γ=97.548(6)°; while 2 in monoclinic P21/n (No.14) space group: a=13.5295(6), b=7.0717(2), c=16.5550(8) Å, β=106.555(5)°. The crystal structure of both compounds consist of the [M(TEA)2]2+ cation (figure) and 4-nbz– anions. In the complex cation [Ca(TEA)2]2+ of 1, the Ca(II) ion lies on a center of symmetry and is sandwiched by two bulky TEA ligands. Each TEA ligand adopts a tripodal conformation and acts as a tetradentate ligand through all three hydroxyl O atoms and amine N atom, resulting in an eight-coordinate calcium(II) ion. The mononuclear cation of 2 resides on a crystallographic inversion center and the structure formed by binding two TEA ligands with the Ni(II) that resulted in a six-coordinate environment around the metal. Each TEA acts as a tridentate ligand through the amine N atom and two hydroxyl O atoms. The intermolecular O–H···O and C–H···O hydrogen bonds link components in supramolecular railroad chains in 1 and network in 2.