Experimental and Theoretical Investigations of Spectral, Tautomerism and Acid-Base Properties of Schiff Bases Derived from Some Amino Acids

Ebead, Youssif; Salman, Hassan; Abdellah, Mohamed

doi:10.5012/bkcs.2010.31.04.850

Cited by 14 publications

(6 citation statements)

References 44 publications

(53 reference statements)

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“…This is probably due to the substituent alkyl chains that may affect the dissociation of the hydrogen atom [63]. Moreover, these pKa seem to be comparable to those observed with non amphiphilic Schiff bases such as these derived from 5,7-dihydroxy-6-formyl-2-methylbenzopyran-4-one, some heterocyclic nitrogen azomethines derived from some amino acids and N,N 0 -bis(salicylidene)-1,2-cyclohexanediamine [64][65][66][67].…”

Section: Study Of the Behavior Of The Amphiphilic Schiff Bases In Thementioning

confidence: 89%

Synthesis and Characterization of a Novel Series of Amphiphilic Mercapto‐1,2,4‐Triazole Schiff Base Ligands: Investigation of their Behavior in Hydro‐Organic Solutions

Boceiri

Benabdallah

Youcef

et al. 2016

J Surfact & Detergents

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A novel series of four Schiff base amphiphiles derived from 3-mercapto-1,2,4-triazole and different alkyl chains were successfully prepared by a new synthetic three-step method. The chemical structures of the different ligands were characterized by elemental analysis, FT-IR spectroscopy, 1 H-NMR and 13 C-NMR spectra. The effect of the chain length on the solution behavior of the amphiphilic ligands were studied, in both homogeneous and heterogeneous systems, using pH-metric and spectrophotometric methods. Based on the electronic spectroscopy data, some parameters governing their surfactant properties, such as the critical micelle concentration (CMC), the micellization free energy (DG mic ) and the hydrophilic-lipophilic balance (HLB) were evaluated in chloroform and discussed. The behavior of the four Schiff bases in the heterogeneous chloroform-water mixture was then explored through the establishment of their acidity (pK A ) and distribution (Log K d ) constants in 1 M chloride medium and the acidity constants in aqueous medium (pK a ) were deduced. Results showed that an increase of the alkyl chain decreases the distribution of the ligands and increases their acidity. The extractive performance of the Schiff base amphiphiles were investigated towards Ni(II) from a chloride medium at 30°C. The analysis of extraction data revealed that the synthesized Schiff bases exhibit a better and faster extractability than many ligands reported in the literature.

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Section: Study Of the Behavior Of The Amphiphilic Schiff Bases In Thementioning

confidence: 89%

Synthesis and Characterization of a Novel Series of Amphiphilic Mercapto‐1,2,4‐Triazole Schiff Base Ligands: Investigation of their Behavior in Hydro‐Organic Solutions

Boceiri

Benabdallah

Youcef

et al. 2016

J Surfact & Detergents

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show abstract

“…The calculated energy variables were theoretically calculated using the three methods, and at the five thermal degrees of all imines, which represent the stability of molecules through interference and spatial changes (HOMO, LUMO, hardness, chemical electron voltage, and electrolyte guide). In the literature (Chipman, 2002;Ebead et al, 2010) (Hollingeworth et al, 2002). These variables represent the center of the interaction for the ionization constants.…”

Section: Resultsmentioning

confidence: 99%

Statistical Study of Ionization for a Number of Oximes and Schiff Bases Theoretically by Using Molecular Modeling Programs

M.M.H.Al-Niemi¹,

AL-Shoraify²

2017

Int. J. Curr. Res. Biosci. Plant Biol.

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A b s t r a c t A r t i c l e I n f oIn this study, the study included the calculation of fourteen ionic and aromatic compounds, which included eight oximes and six Schiff bases. The parameters of the ionization of the compounds under study were calculated at absolute temperature (293K) using molecular modeling programs. Methods that included semi-empirical calculations were AUSTEN MOMEL 1 (AM1), Hatree Fock (HF), and Density functional theory (DFT). The polarizable conductor calculation model (CPCM) was used to calculate the physical variables in the solution phase instead of the gas phase using ethanol as a solvent. The ionization constants were calculated using multiple Linear regression (MLR) analysis and using various descriptive variables selected to test their representatively of the observed variation in pK a values These variables include a Mullikan charge on the atoms of the hydroxyl and azomethine group (C = N), the length of the double bond, the angles values, the value of the fixed dipole moment, DIHADRAL, the total energy and the heat of the formation temperature), molecular properties such as HOMO, LUMO, Molecular hardness, electrolyte guide and chemical potential. These values were correlated with pKa values. In this relationship, the values of pK a were calculated theoretically. The results obtained showed that the HF method and the AM1 method were preferable to the EDP method, although all methods were able to complete this type of calculation And with a good efficiency in describing the effect of substituents on pK a values, these results were clearly indicated by the high correlation coefficients (R 2 ) obtained from the regression analysis and the correlation between the practical values of pKa and those calculated theoretically.

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“…Also, the pK values of a compound influence many characteristics such as its reactivity, spectral properties (color). Conse�uently, several publications were devoted to the determination of pK experimentally and theoretically [1,2].…”

Section: Introductionmentioning

confidence: 99%

The Yellowness Index Use for the Acid-Base Equilibrium Study in Xylenol Orange Aqueous Solutions

Chebotaryov¹,

Снігур²,

Bevziuk³

et al. 2014

Odesa National University Herald. Chemistry

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The possibility of the yellowness index use for the acid-base equilibrium study and ionization constants determination in dyes solutions is studied. It is shown that the yellowness index is suitable for the set task. Its use enables a more reasonable mathematical apparatus algorithmization, automation, simplification and in comparison with the existing approaches of the chemical chromaticity method and classical physico-chemical methods.

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Experimental and Theoretical Investigations of Spectral, Tautomerism and Acid-Base Properties of Schiff Bases Derived from Some Amino Acids

Cited by 14 publications

References 44 publications

Synthesis and Characterization of a Novel Series of Amphiphilic Mercapto‐1,2,4‐Triazole Schiff Base Ligands: Investigation of their Behavior in Hydro‐Organic Solutions

Synthesis and Characterization of a Novel Series of Amphiphilic Mercapto‐1,2,4‐Triazole Schiff Base Ligands: Investigation of their Behavior in Hydro‐Organic Solutions

Statistical Study of Ionization for a Number of Oximes and Schiff Bases Theoretically by Using Molecular Modeling Programs

The Yellowness Index Use for the Acid-Base Equilibrium Study in Xylenol Orange Aqueous Solutions

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