Rank annihilation factor analysis for spectrophotometric study of complex formation equilibria

Abdollahi, Hamid; Nazari, Fariba

doi:10.1016/s0003-2670(03)00471-9

Cited by 54 publications

(30 citation statements)

References 48 publications

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“…Therefore, the concentration profile of three solvent species can be calculated by using Equations (1-5) as a function of initial volume percent of methanol. In each iteration of MCR-ALS, the value of equilibrium constant for Equation (1) RAFA [17,18], a mixed hard-soft modeling approach, is also used to more characterize the methanol-water association and to calculate the dissociation equilibrium constant of the methanol-water cluster. The equilibrium constant is varied between 0.01 and 100 in 0.02 unit intervals.…”

Section: Resultsmentioning

confidence: 99%

“…In this essay, chemometrics analysis was performed on the thermodynamic solvation data, instead of the spectroscopic data, to describe the methanol-water association. A single association model was proposed by application of abstract factor analysis (AFA) [15], MCR [16] and rank annihilation factor analysis (RAFA) [17,18] on the bulk properties of the methanol-water mixtures as well as the acidity constant, distribution coefficient and chromatographic capacity factors of some solutes in these solvents. The procedure permits to calculate the dissociation constant of the complex through an iteration procedure and subsequently to calculate the values of thermodynamic properties in the methanol-water cluster.…”

Section: Introductionmentioning

confidence: 99%

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Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Hemmateenejad

2005

Journal of Chemometrics

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Methanol-water binary mixtures have been characterized as a ternary or quaternary system composed of unassociated methanol (M) and water (W) and one or two methanol-water complex (MW). Identification of the methanol-water association was performed by chemometrics analysis of some solvent-related properties of binary methanol-water mixtures with compositions between 0 and 100% volume percent of methanol. Abstract factor analysis of the solvation data identified three chemical species in the solvent mixtures that can be attributed to the pure methanol and water solvents and a MW association. The stoichiometric molar ratio of the W:M associate was investigated by the multivariate curve resolution-alternative least squares (MCR-ALS) of the solvation data and the resulted concentration profiles of the solvent species implied a 1:1 molar ratio for the M:W association. The equilibrium constant of the formation of the M-W association was determined by MCR-ALS and iterative rank annihilation factor analysis (RAFA) to be equal to 13.72. The solvation data of the pure M-W cluster was calculated by target factor analysis (TFA) procedure. Higher hydrogen-bond basicity and lower hydrogen-bond acidity was obtained for the MW solvent in comparison with both the M and W solvents. The proposed model was employed to calculate the acidity constant and HPLC capacity factors of some solutes in the MW cluster. Interestingly, the solutes were found to be stronger acid in relative to pure methanol and water. Finally, the specific solute-solvent interactions and preferential solvation of the solutes were explained by the nonmodeled solute-related data.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Hemmateenejad

2005

Journal of Chemometrics

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“…6). Moreover, the significant number of factors in data matrix was confirmed using ratios of consecutive eigenvalues (e i /e i+1 ) [16] (inset of Fig. 6).…”

Section: Real Datamentioning

confidence: 70%

Target transform fitting in a voltammetric study of metal complexation

Kompany‐Zareh

Beyad

2008

Analytica Chimica Acta

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“…For the first time Abdollahi used RAFA for determination of complex formation constants [20]. The basis of the application of RAFA in the determination of the formation constants for 1:1 complexes was described in our previous work [21].…”

Section: Theorymentioning

confidence: 99%

Investigation of formation constant of complex of a new synthesized tripodal ligand with Cu<sup>2+</sup> using rank annihilation factor analysis in surfactant media

Golbedaghi¹,

Khajavi²

2014

Bull. Chem. Soc. Eth.

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ABSTRACT. The complex formation between a newly synthesized tripodal ligand and the cation Cu 2+ in water and surfactant media was studied spectrophotometrically using rank annihilation factor analysis (RAFA). According to molar ratio data the stoichiometry of complexation between the ligand and the cation Cu 2+ was 1:1. Formation constant of this complex was derived using RAFA on spectrophotometric data. The performance of the method has been evaluated by using synthetic data. Also concentration and spectral profiles of ligand and complex can be obtained by using the stability constant and appropriate equations. The effect of surfactants such as sodium dodecyl sulfate (SDS), cetyltrimethylammonium bromide (CTAB) and Triton X-100 on complex formation constant of Cu 2+ with the ligand was investigated.

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Rank annihilation factor analysis for spectrophotometric study of complex formation equilibria

Cited by 54 publications

References 48 publications

Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Target transform fitting in a voltammetric study of metal complexation

Investigation of formation constant of complex of a new synthesized tripodal ligand with Cu<sup>2+</sup> using rank annihilation factor analysis in surfactant media

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