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2000
Volume 9, Issue 3
  • ISSN: 1872-2105
  • E-ISSN: 2212-4020

Abstract

Nanomaterials are promising in the field of optical sensors due to their unique properties. Emeraldine base of polyaniline (Nano EB-PANI) was prepared, characterized and applied as an optical formaldehyde sensor. FTIR data confirm the formation of the EB-PANI. TEM and SEM revealed the size and shape of the nanoscale EB-PANI. XRD showed that the obtained nano EB-PANI has a partial crystalline nature. The sensing mechanism is based on the reaction of formaldehyde with Nano EB-PANI- to form a complex as described by molecular modeling HF/3-21G** level of theory. Results showed that Nano EB-PANI- detect low concentrations of formaldehyde ranging from 0.0003 to 0.9 ppm in a dosedependent manner. The molecular modeling theory analysis showed that formaldehyde could interact with the amine of EB-PANI in, ring 3 or 4 or both together. The binding energy and dipole moment of the interaction between formaldehyde and polyaniline nanosensor were calculated by HF/3-21g** level of theory. The interaction with ring 3-NH gives a less stable product with a high dipole moment 6.978 Debye comparing with 1.678 Debye for the product of formaldehyde interaction with the terminal ring 4-NH. The development of such novel EB-PANI nanosensor can be used as, reliable and sensitive formaldehyde sensor.

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/content/journals/nanotec/10.2174/1872210510999151126112509
2015-12-01
2025-09-08
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/content/journals/nanotec/10.2174/1872210510999151126112509
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  • Article Type:
    Research Article
Keyword(s): EB-PANI; Formaldehyde; HF/3-21G**; molecular modeling; polyaniline nanosensor
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