Colorimetric ‘turn on TBET’ sensors for ‘on the spot’ visual detection of HSO4− in semi-aqueous medium: Experimental and quantum chemical (DFT) studies

Sain, Dibyendu; Kumari, C. Rathika Thaya; Kumar, Ashish; Dey, Swapan

doi:10.1016/j.snb.2015.07.029

Cited by 17 publications

(10 citation statements)

References 69 publications

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“…However, its maximum absorption (λ max ) was found to be 100–130 nm red shifted in addition of these metal ions (525 and 495 for Cu 2+ and Ni 2+ , respectively), along with the development of a red colour in the solution. The red‐shift in visible region corresponds with ligand to metal charge transfer in ground state upon complexation . As a result, HL is potentially applicable as a UV–Vis sensor for Cu (II) and Ni (II) cations.…”

Section: Resultsmentioning

confidence: 99%

“…Full geometry optimization of ligand (HL), its copper and nickel complexes have been performed without imposing any constrain using Becke's three parameter hybrid exchange functional (B3) and the Lee‐Yang‐Parr correlation functional (LYP) (B3LYP) along with 6‐31G*(d) basis set. Then, to support the stability of compounds, we performed vibrational frequency calculations at B3LYP/6‐31G*(d) level . No imaginary frequency of the optimized geometries of ligand, Cu (II) and Ni (II) complexes presented that the optimized geometry exhibits stable structures in the potential energy surfaces (local minima) (Figure ).…”

Section: Resultsmentioning

confidence: 99%

“…The redshift in visible region corresponds with ligand to metal charge transfer in ground state upon complexation. [35,36] As a result, HL is potentially applicable as a UV-Vis sensor for Cu (II) and Ni (II) cations.…”

Section: Electronic Spectramentioning

confidence: 99%

“…Then, to support the stability of compounds, we performed vibrational frequency calculations at B3LYP/6-31G*(d) level. [36,37] No imaginary frequency of the optimized geometries of ligand, Cu (II) and Ni (II) complexes presented that the optimized geometry exhibits stable structures in the potential energy surfaces (local minima) ( Figure 5). Highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies of ligand and metal complexes were investigated ( Figure 6).…”

Section: Electronic Spectramentioning

confidence: 99%

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New transition metal complexes of 9,10‐phenanthrenequinone p‐toluyl hydrazone Schiff base: Synthesis, spectroscopy, DNA and HSA interactions, antimicrobial, DFT and docking studies

Moradinia

Mansournia

Aramesh‐Boroujeni

et al. 2019

Applied Organom Chemis

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The new complexes of Cu (II) and Ni (II) of a tridentate Schiff base ligand derived from 9,10‐phenanthrenequinone and p‐toluic hydrazide have been synthesized and characterized by elemental analysis, electrical conductometry, FT‐IR, Mass, NMR and UV–Vis. The DFT calculations were carried out at B3LYP/6‐31G*(d) level for the determination of the optimized structure of the ligand and its complexes. The as‐synthesized compounds were screened for their antimicrobial activity. Also, their binding behavior with fish salmon‐DNA (FS‐DNA) and human serum albumin (HSA) were studied by different kinds of spectroscopic and molecular modeling techniques. The fluorescence data at different temperatures were applied in order to estimate the thermodynamics parameters of interactions of ligand and its complexes with DNA and HSA. The results showed that the as‐made compounds could bind to FS‐DNA and HSA via the groove binding as the major binding mode. According to molecular docking calculation and competitive binding experiments, these compounds bind to the minor groove of DNA and hydrophobic residues located in the subdomain IB of HSA. In addition, the molecular docking results kept in good consistence with experimental data.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Electronic Spectramentioning

confidence: 99%

Section: Electronic Spectramentioning

confidence: 99%

See 2 more Smart Citations

New transition metal complexes of 9,10‐phenanthrenequinone p‐toluyl hydrazone Schiff base: Synthesis, spectroscopy, DNA and HSA interactions, antimicrobial, DFT and docking studies

Moradinia

Mansournia

Aramesh‐Boroujeni

et al. 2019

Applied Organom Chemis

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show abstract

“…In this framework, the emergence of fluorescent/colorimetric chemosensors for cations/anions/ neutral molecules has recently driven groundbreaking advances in the field by providing a plethora of efficient sensing systems with sometimes exceptional selectivity and sensitivity [3][4][5][6][7][8][9][10][11][12][13][14][15][16]. Among the various anions that need to be detected, hydrogen sulfate (HSO − 4 ) ions are of particular interest because: (i) they play major roles in biological systems; (ii) they impart toxicity as pollutant; and (iii) they are essential as sulphate binding proteins in the physiological transport system [17][18][19][20][21]. In addition, HSO − 4 ions have numerous applications in industrial sectors such as agricultural fertilizers, industrial raw materials, nuclear fuel wastes, etc.…”

Section: Introductionmentioning

confidence: 99%

A Novel Quinoxaline-Rhodamine Conjugate for a Simple and Efficient Detection of Hydrogen Sulphate Ion

et al. 2021

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This work presents the development of a quinoxaline and rhodamine conjugate system that acts as a colorimetric chemosensor for hydrogen sulfate (HSO4−) ions in methanol media. This sensor has been characterized both theoretically and experimentally. The detection limits for HSO4− are small as 0.71 µM and 3.8 µM for the absorption and emission experiments, respectively. The effectiveness of the probe in recognizing HSO4− both in gel and solid phase is evaluated as well. Thus, this works presents a simple strategy to detect the environmental HSO4− pollutant event at tiny concentrations.

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Sequential Recognition of Bisulfate and Acetate by a Ruthenium(II) Complex: Experimental and Theoretical Studies

Bazany‐Rodríguez,

García‐Rojas,

Guadalupe Hernández

et al. 2023

ChemPhotoChem

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New complex [RuLCl2(PPh3)] (L= N,N‐bis(2‐hydroxy‐5‐nitrobenzaldehyde)‐2,2’‐diaminodiethylamine) was prepared and characterized analytically. [RuLCl2(PPh3)] was employed as a luminescent chemosensor for the detection of anions. The results show that [RuLCl2(PPh3)] can detect HSO4 ̄ and AcO ̄ selectively with sequential order in H2O‐CH3CN (8:2, v/v) at pH 7.0. The spectral binding, titration, and interference analyses reveal that the addition of HSO4 ̄ to [RuLCl2(PPh3)] emits a distinguished fluorescence intensity (IF/I0= 6.55) significantly. This shows that HSO4 ̄ interacts suitably with the complex to switch ON the fluorescence which could be explained by inhibition of a PET mechanism as the above addition forms [RuLCl(HSO4)(PPh3)] in the excited state. Selectivity of [RuLCl2(PPh3)] with HSO4 ̄ forms [RuLCl(HSO4)(PPh3)] in the water showing a negligible change in its emission except for AcO ̄, which enhances fluorescence intensity. For the addition of AcO ̄ to [RuLCl2(PPh3)] forms [RuLCl(AcO)(PPh3)], however, the adding of HSO4 ̄ to [RuLCl(AcO)(PPh3)] does not show any change in the intensity, suggesting that there exists a logic gate function for the addition of HSO4 ̄ followed by AcO ̄ to [RuLCl2(PPh3)]. This finding is interesting because [RuLCl2(PPh3)] can act as a fast selective chemosensor for the sequential detection of HSO4 ̄ and AcO ̄.

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Colorimetric ‘turn on TBET’ sensors for ‘on the spot’ visual detection of HSO4− in semi-aqueous medium: Experimental and quantum chemical (DFT) studies

Cited by 17 publications

References 69 publications

New transition metal complexes of 9,10‐phenanthrenequinone p‐toluyl hydrazone Schiff base: Synthesis, spectroscopy, DNA and HSA interactions, antimicrobial, DFT and docking studies

New transition metal complexes of 9,10‐phenanthrenequinone p‐toluyl hydrazone Schiff base: Synthesis, spectroscopy, DNA and HSA interactions, antimicrobial, DFT and docking studies

A Novel Quinoxaline-Rhodamine Conjugate for a Simple and Efficient Detection of Hydrogen Sulphate Ion

Sequential Recognition of Bisulfate and Acetate by a Ruthenium(II) Complex: Experimental and Theoretical Studies

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