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Novel VO (IV) complexes derived from a macrochelates: Synthesis, characterization, molecular modeling and in vivo insulin‐mimic activity studies
Author(s) -
ElGammal Ola A.,
Gaber M.,
Mandour Sh. A.
Publication year - 2020
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.5699
Subject(s) - chemistry , electron paramagnetic resonance , hyperfine structure , crystallography , octahedron , octahedral molecular geometry , coordination sphere , stereochemistry , coordination geometry , ligand (biochemistry) , unpaired electron , crystal structure , nuclear magnetic resonance , molecule , hydrogen bond , organic chemistry , physics , receptor , biochemistry , quantum mechanics
For the development of extensive investigations into a potential medicinal application of vanadium coordination compounds for the oral treatment of diabetes, new mono and bimetallic VO (IV) complexes with N,N′‐(2,2′‐(9,10‐dihydro‐9,10‐ethanoanthracene‐11,12‐dicarbonyl) bis (hydrazine‐1‐carbonothioyl)) dibenzamide (H 6 EBT) and 2,2′‐((9S,10S,11R,12R)‐9,10‐dihydro‐9,10‐ethanoanthracene‐11, 12‐dicarbonyl) bis (N‐phenylhydrazine‐1‐carboxamide) (H 6 EPH) have been isolated and characterized. The FTIR and NMR spectral data revealed that H 6 EBT acts as neutral tridentate and dibasic hexadentate while H 6 EPH as dibasic tridentate and tetrabasic hexadentate. The electronic and ESR spectra indicated that complexes has octahedral geometry. ESR spectrum of [(VO)(H 6 EBT)(SO 4 )].5H 2 O gives a well resolved hyperfine eight‐line pattern typical spectrum for mononuclear vanadyl complexes with g˃ g ⊥ = 1.9 suggesting that the ligand donor atoms ONS are coplanar with the two chelate rings forming octahedral geometry. Also, the high parallel hyperfine splitting value, A = 0.0108, than perpendicular one (A ⊥ = 0.0087) indicated that the single d‐ electron is in a σ‐nonbonding orbital and aiming away from the equatorial ligands. On the other hand, the EPR spectra of the binuclear [(VO) 2 (H 4 EBT)(SO 4 )]3H 2 O and [(VO) 2 (H 2 EPH)(H 2 O) 2 ].10H 2 O complexes gave a single broad line centered at g = 2.05 and 2.07, respectively, without resolved hyperfine structure paramagnetic triplet (S = 1) is consistent with the anomalous value of the magnetic moment value (μ eff = 1.100 and 0.99 B.M.) supporting a binuclear nature. The TG analyses confirmed the existence of solvent molecules inside and/or outside the coordination sphere. The DFT molecular modeling of ligands and its VO (IV) complexes supported the suggested geometries. Also, all compounds were screened for in vivo insulin‐mimetic activity.