Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Raman Spectroscopy: Overview

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...

IR Spectroscopy: Molecular Vibration Overview

IR Spectroscopy: Molecular Vibration Overview

When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...

Raman Spectroscopy Instrumentation: Overview

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...

IR and UV–Vis Spectroscopy of Aldehydes and Ketones

IR and UV–Vis Spectroscopy of Aldehydes and Ketones

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...

IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single...

Spectroscopy of Carboxylic Acid Derivatives

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...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Cholesterol Conformational Structures in Phospholipid Membranes.

The journal of physical chemistry. A·2024

Same author

A Raman spectral marker for the iso-octyl chain structure of cholesterol.

Analytical science advances·2024

Same author

The Raman Active Vibrations of Flavone and Quercetin: The Impact of Conformers and Hydrogen Bonding on Fingerprint Modes.

The journal of physical chemistry. A·2023

Same author

Effects of Conformational Variation on Structural Insights from Solution-Phase Surface-Enhanced Raman Spectroscopy.

The journal of physical chemistry. B·2021

Same author

Point-of-care device to diagnose and monitor neonatal jaundice in low-resource settings.

Proceedings of the National Academy of Sciences of the United States of America·2017

Same author

Our First and Next Decades at ACS Nano.

ACS nano·2017

Search research articles

Related Experiment Video

Updated: Aug 29, 2025

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

Published on: April 12, 2017

The Raman Active Vibrational Modes of Anthraquinones.

Mathieu L Simeral¹, Jason H Hafner^1,2

¹Department of Physics and Astronomy, Rice University, Houston, Texas, USA.

|September 7, 2022

Summary

This summary is machine-generated.

Time-dependent density functional theory (TDDFT) accurately calculates Raman spectra for parietin and related anthraquinones. This method aids in identifying potential biosignatures like parietin for astrobiology research.

Keywords:

Anthraquinone Biosignature Chrysophanol Dihydroxyanthraquinone Emodin Parietin Raman scattering Raman spectroscopy

More Related Videos

Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional π-conjugate Systems

Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional π-conjugate Systems

Published on: February 10, 2020

Raman and IR Spectroelectrochemical Methods as Tools to Analyze Conjugated Organic Compounds

Raman and IR Spectroelectrochemical Methods as Tools to Analyze Conjugated Organic Compounds

Published on: October 12, 2018

Related Experiment Videos

Last Updated: Aug 29, 2025

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

Published on: April 12, 2017

Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional π-conjugate Systems

Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional π-conjugate Systems

Published on: February 10, 2020

Raman and IR Spectroelectrochemical Methods as Tools to Analyze Conjugated Organic Compounds

Raman and IR Spectroelectrochemical Methods as Tools to Analyze Conjugated Organic Compounds

Published on: October 12, 2018

Area of Science:

Astrobiology and Spectroscopy
Computational Chemistry

Background:

Anthraquinones, like parietin, are natural products with bioactivity and optical properties.
Parietin, produced by extremophiles, acts as a UV-B radiation protectant and potential astrobiological biosignature.
Raman spectroscopy is a viable technique for detecting molecules in extraterrestrial environments.

Purpose of the Study:

To validate the accuracy of time-dependent density functional theory (TDDFT) in calculating Raman spectra of dihydroxyanthraquinones.
To identify specific vibrational modes and their molecular motions for spectral analysis.
To assess the potential of TDDFT-calculated spectra for identifying biosignatures beyond Earth.

Main Methods:

Utilized time-dependent density functional theory (TDDFT) to compute Raman spectra.
Experimentally measured Raman spectra of purified parietin, emodin, and chrysophanol powders.
Acquired Raman spectra from the lichen *Xanthoria parietina*.

Main Results:

TDDFT accurately reproduced experimental Raman spectra for the three dihydroxyanthraquinones.
Identified and described 10 key vibrational modes, including common modes across the molecules.
Observed excellent agreement between calculated spectra, purified parietin spectra, and lichen spectra.

Conclusions:

TDDFT is a reliable tool for calculating Raman spectra of relevant anthraquinones.
The methodology supports the identification of biosignatures in astrobiological contexts.
This approach can significantly aid spectral analysis in the search for extraterrestrial organic materials.