A tetrachlorocobaltate(II) salt with 2-amino-5-picolinium Synthesis, theoretical and experimental characterization

M. Tahenti (1) , S. Gatfaoui (1) , N. Issaoui (2) , T. Roisnel (3) , H. Marouani (1)

1 UCAR - Université de Carthage (Tunisie)
2 UM - Université de Monastir - University of Monastir
3 ISCR - Institut des Sciences Chimiques de Rennes

The novel complex, (2-amino-5-picolinium) tetrachlorocobaltate(II), (2A5PCoCl4) have been synthesized and crystallized to the monoclinic system with space group P21/c and the lattice parameters obtained are a = 8.0734 (6) Å, b = 14.6297 (11) Å, c = 15.6913 (11) Å, β = 103.034 (4) °, V = 1805.6 (2) Å3 and Z = 4. His atomic arrangement can be described as an alternation of inorganic and organic layers, [CoCl4]2- tetrahedral anions and 2-amino-5-picolinium cations are connected by bifurcated and no-bifurcated N–H⋯Cl and C–H⋯Cl hydrogen bonds. The intermolecular interactions in the crystal structure were quantified by using the three-dimensional Hirshfeld surfaces and two-dimensional fingerprint plots and interactions were analyzed by topological AIM, RDG and NBO approaches. Infrared spectrum confirms the existence of functional groups and used to gain more information of the elaborated material. The DTA/TG analyses were accomplished to inspect the thermal stability of 2A5PCoCl4.

Mots clés: AIM; DFT calculations; Hirshfeld surface; IR spectroscopy; X-ray diffraction

Domaines: Chimie

M. Tahenti, S. Gatfaoui, N. Issaoui, T. Roisnel, H. Marouani. A tetrachlorocobaltate(II) salt with 2-amino-5-picolinium Synthesis, theoretical and experimental characterization. Journal of Molecular Structure, 2020, 1207, pp.127781. ⟨10.1016/j.molstruc.2020.127781⟩. ⟨hal-02472932⟩