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Related Concept Videos

Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview01:13

Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview

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Attenuated total reflectance (ATR) infrared spectroscopy is a powerful analytical technique used to study the composition of materials. It is widely employed in chemistry, materials science, forensic science, and other fields where sample characterization is required. ATR has several advantages over traditional transmission IR spectroscopy, including the requirement of little to no sample preparation and the ability to analyze a wide range of samples.
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IR and UV–Vis Spectroscopy of Carboxylic Acids01:28

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In IR spectroscopy of carboxylic acids, the C=O bond shows a characteristic band between 1710 and 1760 cm⁻¹, and the O–H bond exhibits a broad band between 2500 and 3300 cm⁻¹.
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UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

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Organic compounds with conjugated double bonds show strong absorption features in the UV–visible region of the electromagnetic spectrum attributed to π → π* electronic excitations. Generally, a UV–vis absorption spectrum is recorded as a plot of absorbance vs wavelength. The wavelength of maximum absorbance, which manifests as a peak in the absorption spectrum, is denoted as λmax.
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Spectroscopy of Carboxylic Acid Derivatives01:26

Spectroscopy of Carboxylic Acid Derivatives

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Infrared spectroscopy is primarily used to determine the types of bonds and functional groups. In carboxylic acid derivatives, a typical carbonyl bond absorption is observed around 1650–1850 cm−1. For esters, the absorption is recorded at around 1740 cm−1, while acid halides show the absorption at about 1800 cm−1. Another acid derivative, the acid anhydrides, exhibit two carbonyl absorption around 1760 cm−1 and 1820 cm−1, arising from the symmetrical and...
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IR and UV–Vis Spectroscopy of Aldehydes and Ketones01:29

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Infrared spectroscopy, also known as vibrational spectroscopy, is mainly used to determine the types of bonds and functional groups in molecules. In aldehydes and ketones, the carbonyl (C=O) bond shows an absorption around 1710 cm-1. The C=O bond vibration of an aldehyde occurs at lower frequencies than that of a ketone. In addition to the C=O absorption in an aldehyde, the aldehydic C–H bond also gives two peaks in the 2700–2800 cm-1 range. This absorption, coupled with the...
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¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

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When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
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Related Experiment Video

Updated: Jul 12, 2025

Quantification of Polybutylene Adipate Terephthalate-based Micro- and Nano-plastics from Soil Using Proton Nuclear Magnetic Resonance Spectroscopy
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Rapid Estimation of Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) Composition Using ATR-FTIR.

Sara Alfano1, Francesca Pagnanelli1, Andrea Martinelli1

  • 1Department of Chemistry, Sapienza University of Rome, P.le Aldo Moro 5, 00185 Rome, Italy.

Polymers
|October 28, 2023
PubMed
Summary

Polyhydroxyalkanoates (PHAs) are sustainable, degradable polymers. A new FTIR method rapidly determines the composition of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (P3HBV) copolymers, offering a faster alternative to gas chromatography.

Keywords:
attenuated total reflection FTIRcomposition determinationinverse linear regressionpoly(3-hydroxybutyrate-co-3-hydroxyvalerate)

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Area of Science:

  • Polymer Science
  • Analytical Chemistry
  • Biotechnology

Background:

  • Polyhydroxyalkanoates (PHAs) are a promising family of biodegradable polyesters with potential to replace oil-based plastics.
  • Their sustainable production by microorganisms and inherent biodegradability are key advantages.
  • Tunable thermal and mechanical properties through monomer composition control are crucial for diverse applications.

Purpose of the Study:

  • To develop a rapid and facile method for determining the chemical structure of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (P3HBV).
  • To establish an alternative to the standard gas-chromatographic method using widely available instrumentation.
  • To enable accurate composition analysis of P3HBV copolymers for material characterization.

Main Methods:

  • Utilized attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR) for composition determination.
  • Developed a calibration method based on the linear dependence of normalized absorption band intensity on molar fraction.
  • Implemented rapid quenching from melt onto the ATR element to mitigate crystallinity variability and improve reproducibility.

Main Results:

  • A calibration method was developed using normalized intensities of two specific absorption bands.
  • The method accurately predicts the molar fraction of 3-hydroxybutyrate repeating units (X) in P3HBV samples.
  • Prediction intervals of inverse regression were used to evaluate the uncertainty of the composition estimation.

Conclusions:

  • The proposed ATR-FTIR method provides a rapid and easy estimation of P3HBV copolymer composition.
  • This technique offers a viable alternative to conventional gas chromatography for PHA analysis.
  • The method's ability to overcome crystallinity issues enhances its utility in polymer characterization.