European Journal of Chemistry 2020, 11(4), 334-341 | doi: https://doi.org/10.5155/eurjchem.11.4.334-341.2037 | Get rights and content

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Imino-pyridyl and PPh3 mixed ligand complexes of Cu(I)X (X: I, Br, and Cl): Synthesis, structure, DFT and Hirshfeld surface studies


Jahangir Mondal (1) orcid , Amit Kumar Manna (2) orcid , Goutam Kumar Patra (3,*) orcid

(1) Department of Chemistry, Guru Ghasidas Vishwavidyalaya, Bilaspur, Chhattisgarh, 495009, India
(2) Department of Chemistry, Guru Ghasidas Vishwavidyalaya, Bilaspur, Chhattisgarh, 495009, India
(3) Department of Chemistry, Guru Ghasidas Vishwavidyalaya, Bilaspur, Chhattisgarh, 495009, India
(*) Corresponding Author

Received: 30 Aug 2020 | Revised: 10 Oct 2020 | Accepted: 20 Oct 2020 | Published: 31 Dec 2020 | Issue Date: December 2020

Abstract


Three new halide bridged copper(I)complexes [Cu2(µ-L)(µ-X)2)(PPh3)2]n {X: I (1), Br (2) and Cl (3)} have been synthesized by the reaction of Cu(I)X (X: I, Br and Cl) with PPh3 and the polydentate imino-pyridyl ligand L. Interestingly, copper(I) forms coordination polymers with the ligand L and the co-ligand PPh3. These complexes 1, 2 and 3 have been characterized by elemental analysis, IR, UV-Vis, and NMR spectroscopy. The crystal structure of the complex 2 has been determined by single-crystal X-ray analysis. Crystal data for complex 2: triclinic, space group P-1 (no. 2), a = 9.471(10) Å, b = 11.043(11) Å, c = 13.215(18) Å, α = 65.853(18)°, β = 69.94(2)°, γ = 67.350(14)°, = 1135(2) Å3, Z = 2, T = 296.15 K, μ(MoKα) = 2.806 mm-1, Dcalc = 1.535 g/cm3, 4059 reflections measured (3.462° ≤ 2Θ ≤ 44.818°), 2639 unique (Rint = 0.0637, Rsigma = 0.1621) which were used in all calculations. The final R1 was 0.0700 (I > 2σ(I)) and wR2 was 0.2207 (all data). Hirshfeld surface analysis of the complex 2 showed H···H, N···H and Br···H interactions of 55.9, 14.4 and 4.1%, respectively. MEP of ligand L reflects the whole molecule is reddish yellow in color because of equally distributed electron density over the molecule. For this reason, the ligand is supramolecularly arranged via -{CuI2-µ-X2} rhomboid core in the complex 2. The ligand L is non-emissive at room temperature in dichloromethane, whereas the complexes 1, 2 and 3 are photoluminescent. DFT and Hirshfeld surface studies have also been performed for complex 2.


Keywords


DFT; Imino-pyridyl ligand; X-ray crystal structure; Hirshfeld surface studies; Bridged copper(I) complexes; Copper(I) coordination polymer

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DOI: 10.5155/eurjchem.11.4.334-341.2037

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Funding information


The Department of Science and Technology, (File Nos. SR/FST/CSI-264/2014 and EMR/2017/0001789), Government of India, New Delhi.

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How to cite


Mondal, J.; Manna, A.; Patra, G. Eur. J. Chem. 2020, 11(4), 334-341. doi:10.5155/eurjchem.11.4.334-341.2037
Mondal, J.; Manna, A.; Patra, G. Imino-pyridyl and PPh3 mixed ligand complexes of Cu(I)X (X: I, Br, and Cl): Synthesis, structure, DFT and Hirshfeld surface studies. Eur. J. Chem. 2020, 11(4), 334-341. doi:10.5155/eurjchem.11.4.334-341.2037
Mondal, J., Manna, A., & Patra, G. (2020). Imino-pyridyl and PPh3 mixed ligand complexes of Cu(I)X (X: I, Br, and Cl): Synthesis, structure, DFT and Hirshfeld surface studies. European Journal of Chemistry, 11(4), 334-341. doi:10.5155/eurjchem.11.4.334-341.2037
Mondal, Jahangir, Amit Kumar Manna, & Goutam Kumar Patra. "Imino-pyridyl and PPh3 mixed ligand complexes of Cu(I)X (X: I, Br, and Cl): Synthesis, structure, DFT and Hirshfeld surface studies." European Journal of Chemistry [Online], 11.4 (2020): 334-341. Web. 27 Jan. 2021
Mondal, Jahangir, Manna, Amit, AND Patra, Goutam. "Imino-pyridyl and PPh3 mixed ligand complexes of Cu(I)X (X: I, Br, and Cl): Synthesis, structure, DFT and Hirshfeld surface studies" European Journal of Chemistry [Online], Volume 11 Number 4 (31 December 2020)

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