The Raman and FTIR spectra of acetanilide (ACN) were measured experimentally in the regions of 3 500-50 and 3 500-600 cm(-1) respectively. The equilibrium geometry and vibration frequencies of ACN were calculated based on density functional theory (DFT) method (B3LYP/6-311G(d, p)). The results showed that the theoretical calculation of molecular structure parameters are in good agreement with previous report and better than the ones calculated based on 6-31G(d), and the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis, and based on this, a detailed and accurate vibration frequency assignment of ACN was obtained.
Download full-text PDF |
Source |
|---|
Publication Analysis
Top Keywords
Similar Publications
Effect of low temperature calcination on micro structure of hematite nanoparticles synthesized from waste iron source.
Heliyon
December 2024
Department of Applied Chemistry and Chemical Engineering, Islamic University, Kushtia, Bangladesh.
Hematite (α-FeO) nanoparticles have been synthesized from waste source of iron which contains a prominent amount of iron (93.2 %) and investigated the effect of low temperature calcination. The two-step synthesis method involved preparing ferrous sulfate through acid leaching process followed by oxidation and calcination at temperatures ranging from 200 to 400 °C to produce the desired α-FeO in nano form.
View Article and Find Full Text PDFComparative analysis of hydrazinyl coumarin derivative incorporation in resin-modified and conventional glass ionomer cement.
J Taibah Univ Med Sci
December 2024
Department of Preventive Dentistry, Faculty of Dentistry, Jordan University of Science and Technology, Irbid, Jordan.
Objective: The study aimed to conduct a comparative analysis of the effects of incorporating hydrazinyl coumarin derivative (HCD) in resin-modified (RMGIC) and conventional glass ionomer cement (cGIC) on their release profiles and antibacterial properties.
Method: Resin-modified GIC, Fuji II LC (F2) and high-fluoride cGIC, Fuji VII (F7) were used as controls. HCD was synthesized in-house, incorporated into both RMGIC and cGICs at 1 % and 2 % weight percentages (w/w), and chemically analyzed using Fourier transform infrared (FTIR) spectroscopy.
Waste PET bottle-derived carbon for defluorination of fluoride-polluted water.
Environ Technol
January 2025
Department of Materials Engineering, Kwame Nkrumah University of Science and Technology, Kumasi, Ghana.
This study synthesises expanded graphite (EG) from graphitised carbon from waste polyethylene terephthalate (PET) bottles. The adsorbent material was characterised using FTIR, XRF, XRD, SEM, Raman Spectroscopy, and BET surface area analysis. The synthesised EG defluorinated wastewater, utilising response surface methodology (RSM) for experimental design and optimisation.
View Article and Find Full Text PDFCharacterization of novel cold-active chitin deacetylase for green production of bioactive chitosan.
AMB Express
January 2025
Botany and Microbiology Department, Faculty of Science, Cairo University, Giza, 12613, Egypt.
A Novel cold-active chitin deacetylase from Shewanella psychrophila WP2 (SpsCDA) was overexpressed in Escherichia coli BL21 and employed for deacetylation of chitin to chitosan. The produced chitosan was characterized, and its antifungal activity was investigated against Fusarium oxysporum. The purified recombinant SpsCDA appeared as a single band on SDS-PAGE at approximately 60 kDa, and its specific activity was 92 U/mg.
View Article and Find Full Text PDFOptimizing optical, dielectric, and electrical properties of polyvinyl alcohol/polyvinyl pyrrolidone/poly(3,4-ethylene dioxythiophene) polystyrene sulfonate/NiO-based polymeric nanocomposites for optoelectronic applications.
Sci Rep
January 2025
Physics Department, Faculty of Science, Kafrelsheikh University, Kafrelsheikh, 33516, Egypt.
An electro- and optically favorable quaternary nanocomposite film was produced by solution-casting nickel oxide nanoparticles (NiO NPs) into polyvinyl alcohol (PVA), polyvinyl pyrrolidone (PVP), and poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT/PSS). Based on transmission electron microscopy (TEM) and X-ray diffraction (XRD) observations, the synthesized NiO NPs have a cubic phase and a diameter between 10 and 45 nm. The complexity and interactions observed through XRD patterns, UV-visible spectra, and FTIR measurements suggest that the NPs are not just dispersed within the polymer matrix, but are interacting with it, leading to enhanced dielectric properties and AC electrical conductivity.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!