Crystal structure, spectroscopic, magnetic and electronic structure studies of a novel Cu(II) amino acid complex [Cu(l-arg)2(H2O)]2(P4O12)·8H2O

Hemissi, Hanène; Nasri, M.; Abid, S.; Al-Deyab, Salem S.; Dhahri, E.; Hlil, E.K.; Rzaigui, M.

doi:10.1016/j.jssc.2012.07.004

Cited by 16 publications

(3 citation statements)

References 33 publications

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“…The CuO 4 N 2 sphere is formed by two O1 atoms from the carboxylate groups of ligands A and B, two N1 atoms belonging to amino groups of the same ligands, and two O3 atoms of amide groups of two different ligands (Figure 1b). The coordination sphere's deformation results from the high Jahn-Teller effect around de d-orbitals of Cu(II) in octahedral geometry, which tend to split degenerate energy levels [48]; the basal positions are occupied by two Cu-N and two Cu-O bonds with distances in the range of 1.952(8)-1.978(8) Å and 1.951(8)-1.961(7) Å, respectively, similar to other reported structures [30,[49][50][51]. According to the literature, the Cu-O bond distances at the apical positions range from 2.4 to 2.8 Å, corresponding to electrostatic interactions [52].…”

Section: Structural Descriptionsupporting

confidence: 84%

Bis-Citrullinato Copper(II) Complex: Synthesis, Crystal Structure, and Non-Covalent Interactions

Ramírez-Contreras

García-García²,

Sánchez-Gaytán³

et al. 2022

Crystals

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Citrulline (C6H13N3O3) is a non-protein amino acid found in watermelon. In physiological conditions, it is almost entirely present as a zwitterion, so its carboxylic and amine groups can act as Lewis donors, chelating metallic cations. In addition, Citrulline possesses a terminal ureide group of the aliphatic chain, which appears to be non-innocent. Although Citrulline is similar to other classical amino acids, only one coordination complex has been reported in the Cambridge Crystallographic Database. As part of our search for Casiopeina® analogs, we synthesized and characterized the copper bis-citrullinato complex, [Cu(Citr)2]n. The compound was described using UV-Vis, Infrared, and Raman spectroscopy, together with single-crystal X-ray diffraction. Computational tools were also used. The optimized structure, MEP map, IR and Raman spectra, and 1H and 13C chemical shifts were obtained with functional mPW1PW91 using 6-31G(d) basis set for N, O, C, and H atoms, and LANL2DZ basis set and ECP=LANL2DZ for the Cu atom. TD-mPW1PW91 calculations generated the UV-Vis spectrum. Finally, AIM and Hirshfeld surface analysis were used to examine non-covalent interactions. Previous investigations suggest Casiopeina®-like complexes can interact with DNA/RNA, creating potential anticancer chemicals. The [Cu(Citr)2]n complex’s polymeric nature and insolubility make it difficult for such purposes. However, the facile synthesis of D-Citrulline could be a novel way to find new applications for this interesting amino acid.

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Section: Structural Descriptionsupporting

confidence: 84%

Bis-Citrullinato Copper(II) Complex: Synthesis, Crystal Structure, and Non-Covalent Interactions

Ramírez-Contreras

García-García²,

Sánchez-Gaytán³

et al. 2022

Crystals

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“…1 In aqueous solutions, L-arginine appears as a zwitterion with a protonated guanidine group, a spontaneous process resulting in a thermodynamically durable form in both solutions and crystals. [2][3][4][5][6][7][8][9][10][11] The presence of a guanidine group in L-arginine is crucial for the structural similarity to two antibioticsnetropsin and distamycin. Both of these compounds are highly selective in binding with DNA regions rich in A-T pairs and are active anticancer and antiviral substances.…”

Section: Introductionmentioning

confidence: 99%

“…13 Similarly, L-arginine, revealing strong coordination properties, combines with metal ions to form crystalline complexes. [2][3][4][5][6][7][8][9][10][11] L-Arginine and its metal ion complexes are considered as structural analogues of distamycin and netropsin. A particular analogue of netropsin in binding to AT-DNA are the complexes with formulas of [Cu(L-Arg) 2 ](NO 3 ) 2 and [Cu(L-Arg)(phen)Cl] Cl$2.5H 2 O.…”

Section: Introductionmentioning

confidence: 99%

Metal–organic framework in anl-arginine copper(ii) ion polymer: structure, properties, theoretical studies and microbiological activity

et al. 2015

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Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Physicochemical Study of an Anhydrous Organic Acidic Cyclohexaphosphate

Fezai

Rzaigui

2017

J Fluoresc

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The new organic-inorganic hybrid [5-Cl-2-(CH)CHNH]HPO has been synthesized by the slow evaporation method. X-ray diffraction on a single crystal shows that this acidic cyclohexaphosphate crystallized in the monoclinic space group C with a = 33.89(11) Å, b = 9.16(16) Å, c = 13.68(3) Å, β = 91.35(2)°, V = 4244.9(19) Å and Z = 4. P MAS-NMR andC CP/MAS-NMR results are in accordance with X-ray findings. Fluorescent study shows the blue photoluminescence. Furthermore, FT-IR analysis was studied and the complete vibrational assignments were done. Intermolecular interactions were analyzed using Hirshfeld surface analysis and the associated 2D fingerprint plots.

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Crystal structure, spectroscopic, magnetic and electronic structure studies of a novel Cu(II) amino acid complex [Cu(l-arg)2(H2O)]2(P4O12)·8H2O

Cited by 16 publications

References 33 publications

Bis-Citrullinato Copper(II) Complex: Synthesis, Crystal Structure, and Non-Covalent Interactions

Bis-Citrullinato Copper(II) Complex: Synthesis, Crystal Structure, and Non-Covalent Interactions

Metal–organic framework in anl-arginine copper(ii) ion polymer: structure, properties, theoretical studies and microbiological activity

Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Physicochemical Study of an Anhydrous Organic Acidic Cyclohexaphosphate

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