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Related Concept Videos

Introduction to Functional Groups02:08

Introduction to Functional Groups


Functional groups are group of atoms with specific chemical properties that occur within organic molecules and sometimes denoted as “R”. Functional groups are found along the carbon backbone of macromolecules can form chains or rings of carbon atoms. Functional groups can “functionalize” a compound by enabling it to adopt different physical and chemical properties.
Types of common functional groups
The table below summarizes some of the major functional groups in organic chemistry. (The...
IR and UV–Vis Spectroscopy of Carboxylic Acids01:28

IR and UV–Vis Spectroscopy of Carboxylic Acids

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.
However, the stretching absorptions for the C=O bond vary depending on the structure of carboxylic acids. The C=O bond of the free carboxylic acids shows a higher stretching frequency, 1760 cm−1, while H-bonded carboxylic acids (dimers) exhibit stretching absorptions at a lower frequency, 1710 cm−1. The C=O bond of the...
Spectroscopy of Carboxylic Acid Derivatives01:26

Spectroscopy of Carboxylic Acid Derivatives

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 unsymmetrical carbonyl vibration.
In the...
Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals01:17

Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals

Ideally, an unpaired electron shows a single peak in the EPR spectrum due to the transition between the two spin energy states. However, coupling interactions can occur between the spins of the unpaired electron and any neighboring spin-active nuclei. This hyperfine coupling results in hyperfine splitting, where the EPR signal is split into multiplets. The signals split into 2nI + 1 peaks, where n is the number of equivalent nuclei and I is the nuclear spin. These splitting patterns provide...
Raman Spectroscopy: Overview01:20

Raman Spectroscopy: Overview

The underlying principle of Raman spectroscopy is based on the interaction between light and matter, specifically molecules' inelastic scattering of photons. When a monochromatic beam of light, typically from a laser source, interacts with a sample, most scattered light has the same frequency as the incident light. This is known as Rayleigh scattering.
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and the...
Raman Spectroscopy Instrumentation: Overview01:26

Raman Spectroscopy Instrumentation: Overview

A conventional Raman spectrophotometer includes a laser source, a sample holding system, a wavelength selector, and a detector.
The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...

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Related Experiment Video

Updated: Jun 3, 2026

Functionalization and Dispersion of Carbon Nanomaterials Using an Environmentally Friendly Ultrasonicated Ozonolysis Process
08:33

Functionalization and Dispersion of Carbon Nanomaterials Using an Environmentally Friendly Ultrasonicated Ozonolysis Process

Published on: May 30, 2017

Raman spectra of graphite oxide and functionalized graphene sheets.

Konstantin N Kudin1, Bulent Ozbas, Hannes C Schniepp

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.

Nano Letters
|December 25, 2007
PubMed
Summary

We studied graphene and graphite oxide using first-principles calculations. Our findings show that specific carbon bond patterns in sp2 ribbons explain the blue shift in Raman spectra, crucial for understanding material properties.

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Scalable Syntheses of Graphene Oxide and Reduced Graphene Oxide using Cascade Design Oxidation and Highly Basic Reduction Reactions
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Scalable Syntheses of Graphene Oxide and Reduced Graphene Oxide using Cascade Design Oxidation and Highly Basic Reduction Reactions
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Scalable Syntheses of Graphene Oxide and Reduced Graphene Oxide using Cascade Design Oxidation and Highly Basic Reduction Reactions

Published on: July 3, 2025

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Raman spectroscopy is a key technique for characterizing carbon materials.
  • Graphite oxide and functionalized graphene exhibit unique spectral features.
  • Understanding defects and bonding is crucial for predicting material properties.

Purpose of the Study:

  • To interpret experimental Raman spectra of graphite oxide and functionalized graphene.
  • To elucidate the origin of the G band blue shift observed in these materials.
  • To correlate structural features, including defects, with spectroscopic outcomes.

Main Methods:

  • First-principles calculations (e.g., Density Functional Theory).
  • Analysis of electronic structure and vibrational properties.
  • Modeling of various structural configurations, including functional groups and defects (Stone-Wales, 5-8-5).

Main Results:

  • The G band blue shift in Raman spectra is attributed to an alternating single-double carbon bond pattern within sp2 carbon ribbons.
  • This specific bonding pattern requires the presence of sp3 hybridized carbons at the edges of zigzag carbon ribbons.
  • Calculations successfully reproduced experimental observations, validating the proposed structural model.

Conclusions:

  • The electronic and structural properties of graphene derivatives significantly influence their Raman spectra.
  • First-principles calculations provide a powerful tool for interpreting experimental data in carbon nanomaterials.
  • The presence of sp3 carbons at ribbon edges is essential for achieving the observed spectral shifts, offering insights into material synthesis and modification.