Preparation, Infra-red, MAS-NMR and Structural Characterization of a New Copper Based Inorganic–Organic Hybrid Compound: [C5H6N2Cl]2CuCl4

Karâa, Najla; Hamdi, Besma; Oueslati, A.; Salah, Abdelhamid Ben; Zouari, Ridha

doi:10.1007/s10904-010-9409-y

Cited by 33 publications

(2 citation statements)

References 35 publications

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“…In addition to these hydrogen interactions, we also note that the cohesion in the crystal is ensured by weak interactions type π -π stacking observed between the planes containing the fused aromatic rings. The interstacking distances are equal to 3.210 Å, which is comparable to interplanar distances found in the aromatic π-system (figure 4b) [19]. Both hydrogen bond and π -π stacking interactions cause the formation of a three-dimensional architecture.…”

Section: Structure Descriptionsupporting

confidence: 69%

Synthesis, structure and Hirshfeld surface analysis, vibrational and DFT investigation of (4-pyridine carboxylic acid) tetrachlorocuprate (II) monohydrate

et al. 2017

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The new organic-inorganic hybrid compound [C 6 H 6 NO 2 ] 2 CuCl 4 •H 2 O has been grown from an aqueous mixture by the solvent evaporation method. X-ray diffraction, Hirshfeld surface analysis, FT-IR and FT-Raman spectroscopy were applied to characterize the composition and crystal structure of the complex. It is crystallized in a triclinic system (P1 space group). The structure of this compound might be described as layered with two parallel anionic and cationic layers. The first layer is composed of isolated square planar [CuCl 4 ] 2− and the second layer of [C 6 H 6 NO 2 ] 2+. The water molecule is placed between the layers formed by organic cations along the b axis. Network hydrogen-bonding and π-π interactions lead to the formation of a three-dimensional architecture. Hirshfeld surface analysis for visually analysing intermolecular interactions in crystal structures employing molecular surface contours and 2D fingerprint plots has been used to scrutinize molecular shapes. The vibration properties of this structure were studied by IR spectroscopy and Raman scattering. Vibration spectra were also calculated theoretically by means of Gaussian 03 package of programs within the density functional theory (DFT) framework using the B3LYP/LanL2DZ level of theory. To sum up, good consistency is found between the calculated results on one hand and the IR and Raman spectra and experimental structure on the other. This study confirms the presence of the organic cations [C 6 H 6 NO 2 ] 2+ , the inorganic anions [CuCl 4 ] 2− and H 2 O.

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Section: Structure Descriptionsupporting

confidence: 69%

Synthesis, structure and Hirshfeld surface analysis, vibrational and DFT investigation of (4-pyridine carboxylic acid) tetrachlorocuprate (II) monohydrate

et al. 2017

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“…The general formula in this family is R 2 [MX 4 ] where M = transition metal, X = Cl, Br, I and R is an organic cation. A wide variety of these complexes is known where the R-group is a protonated alkyl amine [9,10], or heterocyclic such as pyridine [11][12][13]. Their structures are characterized by MX 4 tetrahedral sharing corners, edges or faces forming naturally zero (0D), one (1D), two (2D) or three (3D) dimensional, semiconductor networks according to the organic cation by N-H…X and C-H…X hydrogen bonds.…”

Section: Introductionmentioning

confidence: 99%

Experimental (FTIR, Raman, UV–visible and PL) and theoretical (DFT and TDDFT) studies on bis(8–hydroxyquinolinium) tetrachlorocobaltate(II) compound

Chaouachi

Elleuch

Hamdi

et al. 2016

Journal of Molecular Structure

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Synthesis, Crystal Structure, Thermal and Dielectric Properties and Optical Band Gap Study of the Organic–Inorganic Hybrid Compound [H(C10H10N2)]4Cu4Cl8

2016

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Preparation, Infra-red, MAS-NMR and Structural Characterization of a New Copper Based Inorganic–Organic Hybrid Compound: [C5H6N2Cl]2CuCl4

Cited by 33 publications

References 35 publications

Synthesis, structure and Hirshfeld surface analysis, vibrational and DFT investigation of (4-pyridine carboxylic acid) tetrachlorocuprate (II) monohydrate

Synthesis, structure and Hirshfeld surface analysis, vibrational and DFT investigation of (4-pyridine carboxylic acid) tetrachlorocuprate (II) monohydrate

Experimental (FTIR, Raman, UV–visible and PL) and theoretical (DFT and TDDFT) studies on bis(8–hydroxyquinolinium) tetrachlorocobaltate(II) compound

Synthesis, Crystal Structure, Thermal and Dielectric Properties and Optical Band Gap Study of the Organic–Inorganic Hybrid Compound [H(C10H10N2)]4Cu4Cl8

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