Synthesis, conformational and NQR analysis of phosphoric triamides containing the P(O)[N]3 skeleton

Shariatinia‬, Zahra; Védova, Carlos O. Della; Erben, Mauricio F.; Tavasolinasab, Vahid; Gholivand, Khodayar

doi:10.1016/j.molstruc.2012.03.045

Cited by 18 publications

(2 citation statements)

References 28 publications

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“…A summary of the NMR and IR parameters of complexes 1 – 4 and their corresponding ligands C 6 H 5 C(O)NHP(O)[NC 4 H 8 N(C 6 H 5 )] 2 ( 5 ) [31], P(O)[NC 4 H 8 N(C 6 H 5 )] 3 ( 6 ) [32] and also of similar organotin(IV) complexes 7 – 13 reported earlier [14–15 17–18] are given in Table 1.…”

Section: Resultsmentioning

confidence: 99%

Nanoparticles of novel organotin(IV) complexes bearing phosphoric triamide ligands

Shariatinia‬

Asadi²,

Tavasolinasab³

et al. 2013

Beilstein J. Nanotechnol.

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SummaryFour novel organotin(IV) complexes containing phosphoric triamide ligands were synthesized and characterized by multinuclear (1H, 31P, 13C) NMR, infrared, ultraviolet and fluorescence spectroscopy as well as elemental analysis. The 1H NMR spectra of complexes 1–4 proved that the Sn atoms adopt octahedral configurations. The nanoparticles of the complexes were also prepared by ultrasonication, and their SEM micrographs indicated identical spherical morphologies with particles sizes about 20–25 nm. The fluorescence spectra exhibited blue shifts for the maximum wavelength of emission upon complexation.

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Section: Resultsmentioning

confidence: 99%

Nanoparticles of novel organotin(IV) complexes bearing phosphoric triamide ligands

Shariatinia‬

Asadi²,

Tavasolinasab³

et al. 2013

Beilstein J. Nanotechnol.

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“…Nowadays, the quantum chemical calculations on phosphoramides have also been received special attention 27,28. The binding modes of some phosphoramide compounds as Thermolysin inhibitors were investigated theoretically and it was shown that all the results were qualitatively correct with one closely reproducing the experimental value 29.…”

Section: Introductionmentioning

confidence: 94%

Synthesis, X‐ray Crystallography, and DFT Calculations of A Novel Phosphoramide

Shariatinia‬

Dušek

Eigner

2014

Zeitschrift anorg allge chemie

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A new phosphoramide with formula (4‐CH3C6H4S(O)2NH)P(O)(NHCH2C6H5)2 (1) was synthesized and characterized by 1H, 13C, 31P NMR, FT‐IR spectroscopy, and elemental analysis. The 13C NMR spectrum displays two sets of signals for the phenyl carbon atoms of the two benzylamine groups (eight peaks) as well as two separated signals for the 4‐CH3 aliphatic carbon atom possibly due to the presence of a prochiral central phosphorus atom. The structure of compound 1 was determined by X‐ray crystallography at 121 K. In this structure, the strong intermolecular N–H···O=P and N–H···O=S plus weak intermolecular C–H···O and N–H···C(π of benzyl ring) hydrogen bonds create a three‐dimensional crystalline network. The DFT calculations both in the gas phase and in four solvents illustrate that this molecule is more stable at B3PW91 than B3LYP level. Interestingly, comparable computational results are obtained in acetone and methanol solvents as well as in DMSO and ethanol. The QTAIM analyses support the covalent/shared character of the C–N, S–C, and N–H bonds, the intermediate character of P=O, P–N, and S=O bonds, and the electrostatic nature of S=O···H–N, P=O···H–C, and C–H···C(π) interactions. The computational data are in very good agreement with the experimental ones.

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Computational studies on the doped graphene quantum dots as potential carriers in drug delivery systems for isoniazid drug

Vatanparast

Shariatinia‬

2018

Struct Chem

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Synthesis, conformational and NQR analysis of phosphoric triamides containing the P(O)[N]3 skeleton

Cited by 18 publications

References 28 publications

Nanoparticles of novel organotin(IV) complexes bearing phosphoric triamide ligands

Nanoparticles of novel organotin(IV) complexes bearing phosphoric triamide ligands

Synthesis, X‐ray Crystallography, and DFT Calculations of A Novel Phosphoramide

Computational studies on the doped graphene quantum dots as potential carriers in drug delivery systems for isoniazid drug

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