Coordination mode of the N-[bis(diethylamino)phosphoryl]benzenesulfonamide ligand in Lu(III) and Ag(I) complexes. Mass spectra, thermal properties and DFT calculations

Shatrava, Iuliia O.; Оvchynnikov, Vladimir A.; Gubina, Kateryna E.; Sliva, Tatiana Yu.; Severinovskaya, O. V.; Grebenyuk, A. G.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M.

doi:10.1016/j.poly.2017.09.038

Cited by 5 publications

(3 citation statements)

References 30 publications

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“…Although this technique is not able to distinguish the ionizable protons in the species, the method can be successfully applied to determine the metal-to-ligand stoichiometry directly from the m/z values and has been used successfully by us when previously describing analogous systems. 20…”

Section: Thermal Gravimetric Analysesmentioning

confidence: 99%

Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand

et al. 2020

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Section: Thermal Gravimetric Analysesmentioning

confidence: 99%

Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand

et al. 2020

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“…[22] Due to the potential bioactivity properties of benzenesulfonamides, a lot of works have been reported on the structure and activity relationships of both organic sulfonamides [23][24][25][26] and metal complexes. [27][28][29] In the past, the thermodynamic properties of metal complexes (Co, Ni, Cu, and Zn) of newly synthesized sulfa ligands, which are very important for the evaluation of solubility and stability, were studied as well as the spectroscopic, magnetic, conductance measurements. [30] Also, N-heterocyclic arenesulfonamides (NHASs) exhibit sulfonamide (A) sulfonimide (B) tautomerism, which commonly results in the displacement of a hydrogen atom (Scheme 1.…”

Section: Introductionmentioning

confidence: 99%

New Hybrid (E)‐4‐((pyren‐1‐ylmethylene)amino)‐N‐(thiazol‐2‐yl)benzenesulfonamide as a Potential Drug Candidate: Spectroscopy, TD‐DFT, NBO, FMO, and MEP Studies**

Erdoğan

Serdaroğlu

2021

ChemistrySelect

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A novel pyrene-sulfathiazole-based potential drug candidate 3 was designed, successfully synthesized by a condensation reaction of pyrenecarboxaldehyde (1) with sulfathiazole (2) in good yield, and fully characterized by NMR, IR, UV-Vis, and HRMS spectroscopic techniques. The TD-DFT/B3LYP calculations displayed that the recorded peaks at 396, 377, 280, and 236 nm were due to the mainly n-π* and partially π-π* transitions that occurred on pyrene, azomethine, and sulfathiazole moieties. The NBO results disclosed that the electron delocalizations happened onto sulfathiazole, aromatic rings (pyrene and Ph-), and azomethine groups had the main responsibility of the lowering stabilization energy of compound 3. The NMR shifts were calculated by using the GIAO approaches in the DMSO phase and compared with the relevant data recorded. The thermodynamic and quantum chemical quantities were used for elucidating the physicochemical properties and reactivity behavior, in THF, DMSO, and water simulation environments. Accordingly, the calculated DM (D) and α (au) order of compound 3 were calculated in the order of vacuum < THF < DMSO < water, which indicated that the stability and thus reactivity of the compound strongly depended on the solvent environment. The FMO studies implied that the electron-donating possibility of compound 3 was dominant to the electron-accepting potency. In this work, the SMD version of IEFPCM was used in solvent media simulations.

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“…Органические кислоты фосфора являются весьма перспективными лигандами для связывания d-и f-элементов и поэтому представляют интерес для селективного выделения этих металлов [15][16][17][18][19], который стимулирует работы по синтезу и исследованию физико-химических свойств как вновь синтезированных, так и известных соединений этого класса [20][21][22][23][24][25][26][27].…”

Section: Introductionunclassified

1,5-bis[2-(dioxyphosphoryl)-4-ethylphenoxy]-3-oxapentane and its Analogs as Promising Organic Ligands for Copper(II) Binding s

Баулин

Цебрикова

Баулин

et al. 2018

BMCRM

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The dissociation and complexation ability toward Cu(II) of acidic type phosphoryl-containing podands – tetrabasic 1,5-bis[2-(dioxyphosphoryl)-4-ethylphenoxy]-3-oxapentane (L1), dibasic – 1,5-bis[2-(ethoxyhydroxyphosphoryl)-4-ethylphenoxy]-pentane (L2) and also of their carboxylic analogue dibasic 1,5-bis[2-(oxycarbonylphenoxy)]-3-oxapentane (L3) were investigated by spectrophotometric, conductometric and potentiometric methods in water in the presence 5% of dimethyl formamide. Spectrophotometric and conductometric titration data provided evidence for formation of 1:1 (M:L) complexes. The dissociation constants were determined and species distribution diagrams for studied acids were obtained by potentiometric method. These data are of interest for the design of binary extragents and medicinal drugs based on the studied ligands. The stability constants of Cu(II) 1:1 (M:L) complexes were estimated. Analysis of the titration curves suggests that deprotonation forms of the studied ligands react with Cu2+. Substitution of carboxylic groups in acyclic polyesters by phosphonic results in increased stability of the copper(II) complexes

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Coordination mode of the N-[bis(diethylamino)phosphoryl]benzenesulfonamide ligand in Lu(III) and Ag(I) complexes. Mass spectra, thermal properties and DFT calculations

Cited by 5 publications

References 30 publications

Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand

Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand

New Hybrid (E)‐4‐((pyren‐1‐ylmethylene)amino)‐N‐(thiazol‐2‐yl)benzenesulfonamide as a Potential Drug Candidate: Spectroscopy, TD‐DFT, NBO, FMO, and MEP Studies**

1,5-bis[2-(dioxyphosphoryl)-4-ethylphenoxy]-3-oxapentane and its Analogs as Promising Organic Ligands for Copper(II) Binding s

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