Highly sensitive detection of carbon dioxide by a pyrimido[1,2-a]benzimidazole derivative: combining experimental and theoretical studies

Xia, Guomin; Ruan, Chengyan; Wang, Hongming

doi:10.1039/c5an00947b

Cited by 8 publications

(1 citation statement)

References 44 publications

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“…Interestingly, few studies have shown that chemo sensor compounds displaying high selectivity for the fluoride anion were able to detect carbon dioxide gas with full restoration of their original colours and spectral properties [ 11 , 12 ]. Xia and co-workers reported the carboxylation of pyrimido [ 1 , 2 ] benzimidazole and squarine derivatives by the aid of carbon dioxide in the presence of an excess of a fluoride salt [Bu 4 N] F [ 13 , 14 ].…”

Section: Introductionmentioning

confidence: 99%

Anion Complexation by an Azocalix[4]arene Derivative and the Scope of Its Fluoride Complex Salt to Capture CO2 from the Air

Namor

Hakawati

2023

Molecules

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A newly synthesized upper rim azocalix[4]arene, namely 5,11,17,23-tetra[(4-ethylacetoxyphenyl) (azo)]calix[4]arene, CA-AZ has been fully characterized, and its chromogenic and selective properties for anions are reported. Among univalent anions, the receptor is selective for the fluoride anion, and its mode of interaction in solution is discussed. The kinetics of the complexation process were found to be very fast as reflected in the immediate colour change observed with a naked eye resulting from the receptor–anion interaction. An emphasis is made about the relevance in selecting a solvent in which the formulation of the process is representative of the events taking place in the solution. The composition of the fluoride complex investigated using UV/VIS spectrophotometry, conductance measurements and titration calorimetry was 1:1, and the thermodynamics of complexation of anions and CA-AZ in DMSO were determined. The fluoride complex salt was isolated, and a detailed investigation was carried out to assess its ability to remove CO2 from the air. The recycling of the complex was easily achieved. Final conclusions are given.

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Section: Introductionmentioning

confidence: 99%

Anion Complexation by an Azocalix[4]arene Derivative and the Scope of Its Fluoride Complex Salt to Capture CO2 from the Air

Namor

Hakawati

2023

Molecules

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Photophysical Behavior and Computational Investigation of Novel 1,4-Bis(2-(2-Phenylpyrimido[1,2-a]Benzimidazol-4-Yl)Phenoxy)Butan (BPPB) Macromolecule

et al. 2016

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A new macromolecule pyrimido[l,2-a]benzimidazole derivative named 1,4-bis(2-(2-phenylpyrimido[1,2-a]benzimidazol-4-yl)phenoxy)butan (BPPB) has been synthesized in accepted yield using microwave assistance. The new compound BPPB has been formed by the interaction of 3,3'-((butane-1,4-diylbis(oxy))bis(2,1-phenylene))bis(1-phenylprop-2-en-1-one) (3) with 2- aminobenzimidazole (4) in the presence of potassium hydroxide as a basic catalyst in dimethylformamide (DMF) under microwave radiation for 20 min. The chemical structure of this novel compound was elucidated by elemental and spectral techniques including: FT-IR, (1)H-NMR, (13)C-NMR and mass spectra. The electronic absorption and emission spectra of BPPB were measured in different solvents. BPPB displayed a solvatochromic effect of the emission spectrum that is reflected by red shifts of its fluorescence emission maxima on increasing the solvent polarity, indicating a change of electronic charge distribution upon excitation. BPPB crystalline solids gave excimer-like emission at 535 nm with a bandwidth of ca. 60 nm. Ground and excited states electronic geometry optimizations using density functional theory (DFT) and time-dependent density functional theory (TD-DFT), respectively, complemented these spectral findings. The intramolecular charge transfer was investigated by natural bond orbital (NBO) technique.

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Synthesis, vibrational spectroscopy and X-ray structural characterization of novel NIR emitter squaramides

Ávila-Costa

Donnici

Santos

et al. 2019

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Highly sensitive detection of carbon dioxide by a pyrimido[1,2-a]benzimidazole derivative: combining experimental and theoretical studies

Cited by 8 publications

References 44 publications

Anion Complexation by an Azocalix[4]arene Derivative and the Scope of Its Fluoride Complex Salt to Capture CO2 from the Air

Anion Complexation by an Azocalix[4]arene Derivative and the Scope of Its Fluoride Complex Salt to Capture CO2 from the Air

Photophysical Behavior and Computational Investigation of Novel 1,4-Bis(2-(2-Phenylpyrimido[1,2-a]Benzimidazol-4-Yl)Phenoxy)Butan (BPPB) Macromolecule

Synthesis, vibrational spectroscopy and X-ray structural characterization of novel NIR emitter squaramides

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