Spectroscopic and DFT studies of the charge transfer complexation of iodine with aniline and its derivatives in carbon tetrachloride medium

Rahman, Sharifur; Rub, Malik Abdul; Mahbub, Shamim; Joy, Md. Tuhinur R.; Rana, Shahed; Hoque, Md. Anamul

doi:10.1016/j.molliq.2022.118667

Cited by 15 publications

(8 citation statements)

References 43 publications

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“…The formation constant for the charge transfer reaction of TIGC and TCNQ was calculated using the Benesi–Hildebrand equation [ 40 , 41 , 42 , 43 ] as follows (Equation (6)):

where [ A o ] and [ D o ] denote the initial concentrations of TCNQ and TIGC, respectively, and A AD , ε AD , and

are the absorbance, the molar absorptivity, and the formation constant of the CTC, respectively. The Benesi–Hildebrand equation can be applied for the 1:1 CTC by keeping [ A o ] lower than [ D o ].…”

Section: Resultsmentioning

confidence: 99%

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Application of Plackett–Burman Design for Spectrochemical Determination of the Last-Resort Antibiotic, Tigecycline, in Pure Form and in Pharmaceuticals: Investigation of Thermodynamics and Kinetics

2022

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Tigecycline (TIGC) reacts with 7,7,8,8-tetracyanoquinodimethane (TCNQ) to form a bright green charge transfer complex (CTC). The spectrum of the CTC showed multiple charge transfer bands with a major peak at 843 nm. The Plackett–Burman design (PBD) was used to investigate the process variables with the objective being set to obtaining the maximum absorbance and thus sensitivity. Four variables, three of which were numerical (temperature—Temp; reagent volume—RV; reaction time—RT) and one non-numerical (diluting solvent—DS), were studied. The maximum absorbance was achieved using a factorial blend of Temp: 25 °C, RV: 0.50 mL, RT: 60 min, and acetonitrile (ACN) as a DS. The molecular composition that was investigated using Job’s method showed a 1:1 CTC. The method’s validation was performed following the International Conference of Harmonization (ICH) guidelines. The linearity was achieved over a range of 0.5–10 µg mL−1 with the limits of detection (LOD) and quantification (LOQ) of 166 and 504 ng mL−1, respectively. The method was applicable to TIGC per se and in formulations without interferences from common additives. The application of the Benesi–Hildebrand equation revealed the formation of a stable complex with a standard Gibbs free energy change (∆G°) value of −26.42 to −27.95 kJ/mol. A study of the reaction kinetics revealed that the CTC formation could be best described using a pseudo-first-order reaction.

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“…The formation constant for the charge transfer reaction of TIGC and TCNQ was calculated using the Benesi–Hildebrand equation [ 40 , 41 , 42 , 43 ] as follows (Equation (6)):

where [ A o ] and [ D o ] denote the initial concentrations of TCNQ and TIGC, respectively, and A AD , ε AD , and

Section: Resultsmentioning

confidence: 99%

“…The formation constant for the charge transfer reaction of TIGC and TCNQ was calculated using the Benesi-Hildebrand equation [40][41][42][43] as follows (Equation ( 6)): 8.…”

Section: Investigation Of the Reaction Thermodynamicsmentioning

confidence: 99%

Application of Plackett–Burman Design for Spectrochemical Determination of the Last-Resort Antibiotic, Tigecycline, in Pure Form and in Pharmaceuticals: Investigation of Thermodynamics and Kinetics

2022

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“…The calculation of formation constants (KCT) using the Benesi-Hildebrand plot revealed the influence of temperature changes and donor molecule structure on KCT values. Both experimental and DFT UV spectra uncovered an additional CT band, with the elongation of I2 acceptor bonds facilitating the observation of the interaction between I2 and aniline derivatives [ 13 ]. Introduced an innovative titrimetric approach (method A) for the precise determination of Ciprofloxacin Hydrochloride (CIP-HCl).…”

Section: Methods Of Derivative Spectra Generationmentioning

confidence: 99%

Determination of levofloxacin, norfloxacin, and moxifloxacin in pharmaceutical dosage form or individually using derivative UV spectrophotometry

Elgendy,

Zaky,

altorky

et al. 2024

BMC Chemistry

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Purpose In this study, first, second, third, and fourth-order derivative spectrophotometric methods utilizing the peak—zero (P—O) and peak-peak (P—P) techniques of measurement were developed for the determination of levofloxacin, norfloxacin, and moxifloxacin. These methods were applied to their combined pharmaceutical dosage form or individually for levofloxacin, norfloxacin, and moxifloxacin. Methods Linearity was established in the concentration range of 2–20 µg/mL. The procedures are simple, quick, and precise. The developed methods are sensitive, accurate, and cost-effective, demonstrating excellent correlation coefficients (R2 = 0.9998) and mean recovery values ranging from 99.20% to 100.08%, indicating a high level of precision. Results The developed approach was effectively employed to determine the levofloxacin, norfloxacin, and moxifloxacin content in commercially available pharmaceutical dosages. Conclusions Statistical analysis and recovery tests confirmed the method's linearity and accuracy. The results suggest that this method can be utilized for routine analysis in both bulk and commercial formulations. The simplicity, accuracy, and cost-effectiveness of the developed methods make them valuable for pharmaceutical analysis.

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“…Additionally, the lengthening of I2 acceptors' bonds allowed researchers to observe the interaction between I2 and aniline and aniline derivatives. [12] The goal of this work was to provide the titrimetric approach as a convenient, affordable, simple, and environmentally friendly analytical methodology (method A). Based on the in situ bromination of CIP-HCl by bromine created by the interaction of acid on the bromate-bromide combination, a new titrimetric approach has been devised.…”

Section: Introductionmentioning

confidence: 99%

Determination of Levofloxacin, Norfloxacin, and Moxifloxacin in Pharmaceutical Dosage Form or Individually Using Derivative UV Spectrophotometry

Osman

2023

Preprint

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The first, second, third, and fourth-order derivative spectrophotometric methods by using the peak—zero (P - O) and peak-peak (P - P) techniques of measurement have been developed for the determination of levofloxacin, norfloxacin, and moxifloxacin in their combined pharmaceutical dosage form or individually for levofloxacin, norfloxacin, and moxifloxacin. Linearity was achieved at 2–20 µg/ml. The procedure is Simple, quick, and precise. The developed method is sensitive and precise. simple, accurate, and cost-effective, and exhibited a good correlation coefficient (R2 = 0.9998) and excellent mean recovery (99.20–100.08%), indicating a high degree of precision of the methods. This approach was successfully used to determine the levofloxacin, norfloxacin, and moxifloxacin content in marketed pharmaceutical dosages. The method's linearity, and accuracy, were confirmed statistically and through recovery tests. The results showed that the method can be used for routine analysis in bulk and commercial formulations.

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Spectroscopic and DFT studies of the charge transfer complexation of iodine with aniline and its derivatives in carbon tetrachloride medium

Cited by 15 publications

References 43 publications

Application of Plackett–Burman Design for Spectrochemical Determination of the Last-Resort Antibiotic, Tigecycline, in Pure Form and in Pharmaceuticals: Investigation of Thermodynamics and Kinetics

Application of Plackett–Burman Design for Spectrochemical Determination of the Last-Resort Antibiotic, Tigecycline, in Pure Form and in Pharmaceuticals: Investigation of Thermodynamics and Kinetics

Determination of levofloxacin, norfloxacin, and moxifloxacin in pharmaceutical dosage form or individually using derivative UV spectrophotometry

Determination of Levofloxacin, Norfloxacin, and Moxifloxacin in Pharmaceutical Dosage Form or Individually Using Derivative UV Spectrophotometry

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