Structural and spectrophotometric characterization of 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide as a reagent for sequential injection determination of tungsten

Yaroslav Bazel, Martina Lešková, Michal Rečlo, Jana Šandrejová, A. Simon, Maksym Fizer, Vasyl Sidey

Research output: Article

2 Citations (Scopus)

Abstract

Structure, spectrophotometric and protolytic properties of the styryl dye 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide (R) as well as its complex with tungsten were studied. The selective protonation of dimethylamino group was confirmed by density functional theory investigation through the computation of Fukui function, NPA partial atomic charges, and NICS(0) aromaticity indexes. The TD-DFT study explains the experimental change of color by excluding the dimethylamino group from HOMO orbital upon protonation. The acid dissociation constant, the optimum wavelength and the molar absorptivity of R were found to be: 3.02, 501 nm and 4.0 × 104 L mol−1 cm−1, respectively. The protolytic properties of the reagent were found to change significantly in the presence of tungsten(VI). Analysis of bond critical points between the anions and Quinaldine Red cation gives the selectivity raw HWO4 > MoO4 > H2VO4 > ReO4 > ClO4 , that perfectly match with the experimental data. Based on this observation, a non-extractive sequential-injection spectrophotometric method for the determination of tungsten was developed. The absorbance of the colored extracts obeys Beer's law up to 55.2 mg L−1 of W at 520 nm wavelength. The limit of detection calculated from a blank test (n = 10) based on 3 s was 0.96 mg L−1. The developed method was applied for the determination of tungsten in model samples.

Original languageEnglish
Pages (from-to)398-405
Number of pages8
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume196
DOIs
Publication statusPublished - máj. 5 2018

Fingerprint

Tungsten
Iodides
iodides
reagents
tungsten
injection
Protonation
Beer law
Wavelength
blanks
Discrete Fourier transforms
wavelengths
Density functional theory
Anions
Cations
critical point
absorptivity
Negative ions
Dyes
selectivity

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Cite this

Structural and spectrophotometric characterization of 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide as a reagent for sequential injection determination of tungsten. / Bazel, Yaroslav; Lešková, Martina; Rečlo, Michal; Šandrejová, Jana; Simon, A.; Fizer, Maksym; Sidey, Vasyl.

In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 196, 05.05.2018, p. 398-405.

Research output: Article

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title = "Structural and spectrophotometric characterization of 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide as a reagent for sequential injection determination of tungsten",
abstract = "Structure, spectrophotometric and protolytic properties of the styryl dye 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide (R) as well as its complex with tungsten were studied. The selective protonation of dimethylamino group was confirmed by density functional theory investigation through the computation of Fukui function, NPA partial atomic charges, and NICS(0) aromaticity indexes. The TD-DFT study explains the experimental change of color by excluding the dimethylamino group from HOMO orbital upon protonation. The acid dissociation constant, the optimum wavelength and the molar absorptivity of R were found to be: 3.02, 501 nm and 4.0 × 104 L mol−1 cm−1, respectively. The protolytic properties of the reagent were found to change significantly in the presence of tungsten(VI). Analysis of bond critical points between the anions and Quinaldine Red cation gives the selectivity raw HWO4 − > MoO4 −> H2VO4 − > ReO4 − > ClO4 −, that perfectly match with the experimental data. Based on this observation, a non-extractive sequential-injection spectrophotometric method for the determination of tungsten was developed. The absorbance of the colored extracts obeys Beer's law up to 55.2 mg L−1 of W at 520 nm wavelength. The limit of detection calculated from a blank test (n = 10) based on 3 s was 0.96 mg L−1. The developed method was applied for the determination of tungsten in model samples.",
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T1 - Structural and spectrophotometric characterization of 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide as a reagent for sequential injection determination of tungsten

AU - Bazel, Yaroslav

AU - Lešková, Martina

AU - Rečlo, Michal

AU - Šandrejová, Jana

AU - Simon, A.

AU - Fizer, Maksym

AU - Sidey, Vasyl

PY - 2018/5/5

Y1 - 2018/5/5

N2 - Structure, spectrophotometric and protolytic properties of the styryl dye 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide (R) as well as its complex with tungsten were studied. The selective protonation of dimethylamino group was confirmed by density functional theory investigation through the computation of Fukui function, NPA partial atomic charges, and NICS(0) aromaticity indexes. The TD-DFT study explains the experimental change of color by excluding the dimethylamino group from HOMO orbital upon protonation. The acid dissociation constant, the optimum wavelength and the molar absorptivity of R were found to be: 3.02, 501 nm and 4.0 × 104 L mol−1 cm−1, respectively. The protolytic properties of the reagent were found to change significantly in the presence of tungsten(VI). Analysis of bond critical points between the anions and Quinaldine Red cation gives the selectivity raw HWO4 − > MoO4 −> H2VO4 − > ReO4 − > ClO4 −, that perfectly match with the experimental data. Based on this observation, a non-extractive sequential-injection spectrophotometric method for the determination of tungsten was developed. The absorbance of the colored extracts obeys Beer's law up to 55.2 mg L−1 of W at 520 nm wavelength. The limit of detection calculated from a blank test (n = 10) based on 3 s was 0.96 mg L−1. The developed method was applied for the determination of tungsten in model samples.

AB - Structure, spectrophotometric and protolytic properties of the styryl dye 2-[4-(dimethylamino)styryl]-1-ethylquinolinium iodide (R) as well as its complex with tungsten were studied. The selective protonation of dimethylamino group was confirmed by density functional theory investigation through the computation of Fukui function, NPA partial atomic charges, and NICS(0) aromaticity indexes. The TD-DFT study explains the experimental change of color by excluding the dimethylamino group from HOMO orbital upon protonation. The acid dissociation constant, the optimum wavelength and the molar absorptivity of R were found to be: 3.02, 501 nm and 4.0 × 104 L mol−1 cm−1, respectively. The protolytic properties of the reagent were found to change significantly in the presence of tungsten(VI). Analysis of bond critical points between the anions and Quinaldine Red cation gives the selectivity raw HWO4 − > MoO4 −> H2VO4 − > ReO4 − > ClO4 −, that perfectly match with the experimental data. Based on this observation, a non-extractive sequential-injection spectrophotometric method for the determination of tungsten was developed. The absorbance of the colored extracts obeys Beer's law up to 55.2 mg L−1 of W at 520 nm wavelength. The limit of detection calculated from a blank test (n = 10) based on 3 s was 0.96 mg L−1. The developed method was applied for the determination of tungsten in model samples.

KW - 2-[4-(Dimethylamino)styryl]-1-ethylquinolinium iodide

KW - Complexes

KW - Sequential-injection analysis

KW - Structure

KW - Tungsten

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JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

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