Structural study of protic triethanolammonium ionic liquid based on 4-nitrobenzoic acid and their Ni(II) complex

Crişan Manuela E.; Petric Mihaela; Plesu Nicoleta; Melnic Elena; Croitor Lilia; Kravtsov Victor; Bourosh Pavlina

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2023-03-06 13:16

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CRIŞAN, Manuela E., PETRIC, Mihaela, PLESU, Nicoleta, MELNIC, Elena, CROITOR, Lilia, KRAVTSOV, Victor, BOUROSH, Pavlina. Structural study of protic triethanolammonium ionic liquid based on 4-nitrobenzoic acid and their Ni(II) complex. In: Progrese în stiința compusilor organici si macromoleculari: Zilele academice iesene, 5-6 octombrie 2017, Iași. România, Iaşi: Institutul de Chimie Macromoleculara „Petru Poni” Iasi, 2017, Ediția a XXVI-a, p. 43.

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Progrese în stiința compusilor organici si macromoleculari
Ediția a XXVI-a, 2017

Sesiunea "Progrese în stiința compusilor organici si macromoleculari"
Iași, Romania, 5-6 octombrie 2017

Structural study of protic triethanolammonium ionic liquid based on 4-nitrobenzoic acid and their Ni(II) complex

Studiul structural al lichidului ionic protic trietanolamoniu-4-nitrobenzoat si complexul său cu Ni(II)

Pag. 43-43

Crişan Manuela E.¹, Petric Mihaela¹, Plesu Nicoleta¹, Melnic Elena², Croitor Lilia², Kravtsov Victor², Bourosh Pavlina²

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

Proiect:
16.80013.5007.04/Ro Noi derivaţi Carboxilici Aromatici non-toxici cu rol în REglarea creşterii PLANTelor: de la sinteza şi investigaţii structurale la teste biologice

Disponibil în IBN: 3 august 2020

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Teza

Alkanolammonium protic ionic liquids based on biologically active components
attract considerable attention in pharmacology and agrochemistry. Triethanolamine might
serve as a component to the creation of drugs with low melting points (<100°С) or metal
complexes with high biological activities. This study presents the synthesis and single crystal
X-ray structural analysis of a new triethanolammonium ionic liquid based on 4-nitrobenzoic
acid TEA : 4-nbz (1) and its Ni(II) complex [Ni(4-nbz)(TEA)(H2O)](4-nbz) (2). Compound 1
crystalizes in triclinic space group P-1, a=7.1136(5), b=7.1697(5), c=15.291(1) Å,
α=88.704(5), β=89.955(5), γ=70.458(5) °, while compound 2 in monoclinic P21/n,
a=6.7643(2), b=25.2986(7), c=13.8809(5) Å, β=102.778(3) °. The analysis of supramolecular
architecture of ionic compound 1 has revealed that 4-nitrobenzoic acid is deprotonated and
TEA is protonated (figure 1a) and crystal packing is dominated by charge-assisted O–H···O–
and N+–H···O– hydrogen bonding, leading to 1D supramolecular chains. The crystal structure
of 2 consists of the [Ni(4-nbz)(TEA)(H2O)]+ cation and 4-nbz– anion (figure 1b). The
coordination polyhedron of the metal is a distorted NO5 octahedron formed by the four donor
atoms of triethanolamine (NOOO), an O-atom of the water molecule and an O-atom of the
carboxylate. The tetradentate triethanolamine ligand forms three five-membered chelate rings.
In addition, one water molecule and one 4-nbz– anion coordinate to the Ni(II) cation in a
monodentate manner. Their mutual arrangement is stabilized by intramolecular hydrogen
bond O(1W)–H(1W1)···O(3)=2.687(2) Å. The outer-sphere 4-nbz– anion is H-bonded with
complex cation O(1W)–H(2W1)···O(10)=2.766(2) Å. The intermolecular OH···O hydrogen
bonds unite components in well-defined supramolecular layer.
(a) (b)
Figure 1. View of asymmetric units of 1 (a) and 2 (b)
Acknowledgement. Authors thanks the bilateral Moldova-Romanian project 16.80013.5007.04/Ro and the
Romanian National Authority for Scientific Research and Innovation, CCCDI-UEFISCDI, project PN3-P3-
217/24 BM/19.09.2016