4.5 Article

Experimental and theoretical evaluation of the clonazepam adsorption onto carbon nanotubes

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CHEMICAL PHYSICS
卷 558, 期 -, 页码 -

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DOI: 10.1016/j.chemphys.2022.111505

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Clonazepam; CNTs; Electronic properties; Density functional theory; Adsorption

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This study evaluated the interaction between clonazepam and zigzag carbon nanotubes (CNTs) and demonstrated the adsorption ability of CNTs for clonazepam molecules. The experimental results showed that clonazepam molecules can effectively interact with CNTs and be adsorbed onto the surface of CNTs. The presence of CNTs facilitated the redox reaction of clonazepam, resulting in sharper voltammograms. The findings suggest that CNTs are suitable for the fabrication of sensitive sensors for trace analysis of clonazepam or effective adsorbents for its removal from contaminated specimens.
This work illustrates the evaluation of the clonazepam interaction (CLNP) with zigzag carbon nanotubes (CNTs) through voltammetric, FT-IR, and UV-Vis spectrometry, and density functional theory (DFT) assays. The primary purpose was to evaluate the CNTs' ability in the effective adsorption of CLNP molecules. Experimental funding demonstrated noticeable physical interactions between CLNP molecules and CNTs, which leads to their adsorption on the surface of CNTs. The CLNP redox reaction occurred more facile in the presence of CNTs, resulting in voltammograms with sharper peaks with lower overvoltages. The electronic features of the used semiconductive CNTs were responsive to the CLNP and its reduction products, but their electrical conductivity was not altered. The average CLNP adsorption energy by CNTs approximate to-4.8 kJ/mol indicates the effective interaction of the CLNPs molecules and the CNTs. The findings of this study indicate the suitability of CNTs for the fabrication of sensitive sensors for trace analysis of CLNP or effective adsorbents for CLNP removal from contaminated specimens.

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