Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Raman Spectroscopy: Overview01:20

Raman Spectroscopy: Overview

2.2K
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...
2.2K
Raman Spectroscopy Instrumentation: Overview01:26

Raman Spectroscopy Instrumentation: Overview

1.6K
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...
1.6K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.7K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.7K
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

3.5K
A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to...
3.5K
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations01:08

IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

2.1K
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...
2.1K
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

2.1K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
2.1K

You might also read

Related Articles

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

Sort by
Same author

Dissecting Reaction Paths with the Independent Gradient Model: The Case of a Key Reductive Elimination Step at Cobalt(IV).

The journal of physical chemistry. A·2026
Same author

Dissecting reactions with the independent gradient model: the case of the stereoselective insertion of a Fischer-type carbene ligand into a Mn-C bond.

Physical chemistry chemical physics : PCCP·2025
Same author

X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency.

The journal of physical chemistry. A·2025
Same author

Workflow for Harmonic IR and Raman Spectra of Embedded Systems: The PE-QM Approach.

The journal of physical chemistry. A·2025
Same author

Quantum Hydrogen Tunneling in an Iridium Dihydride Complex.

Journal of the American Chemical Society·2025
Same author

Chalcogen Bonding with Telluronium Cations: toward Selective Population of Tellurium σ-Holes by Lewis Bases.

The Journal of organic chemistry·2025
Same journal

Investigating the stabilizing influences of organic sidechains in epoxides by rotational spectroscopy and computational chemistry: 1,2-epoxyhexane <i>versus</i> 1,2-epoxy-5-hexene.

Physical chemistry chemical physics : PCCP·2026
Same journal

Structure and dynamics of water confined in graphene oxide.

Physical chemistry chemical physics : PCCP·2026
Same journal

Comprehensive first-principles study of group IIIA-VIA A<sub>2</sub>B<sub>3</sub> two-dimensional ferroelectrics.

Physical chemistry chemical physics : PCCP·2026
Same journal

Low-resistance ohmic contacts for NbGeN<sub>3</sub> enabled by cold metals.

Physical chemistry chemical physics : PCCP·2026
Same journal

Integrated first-principles, SCAPS-1D, and a ML framework for numerical modelling and performance optimization of BaXS<sub>3</sub> (X = Zr, Hf)-based perovskite solar cells.

Physical chemistry chemical physics : PCCP·2026
Same journal

Generalized Suzuki-Chin factorization in bosonic path integral molecular dynamics.

Physical chemistry chemical physics : PCCP·2026
See all related articles

Related Experiment Video

Updated: Mar 17, 2026

Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems
07:44

Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems

Published on: April 28, 2016

15.7K

Complete analytic anharmonic hyper-Raman scattering spectra.

Yann Cornaton1, Magnus Ringholm1, Kenneth Ruud1

  • 1Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø-The Arctic University of Norway, N-9037 Tromsø, Norway. magnus.ringholm@uit.no.

Physical Chemistry Chemical Physics : PCCP
|July 27, 2016
PubMed
Summary
This summary is machine-generated.

This study introduces computational second-order vibrational perturbation theory for hyper-Raman spectroscopy. Anharmonic corrections significantly impact vibrational frequencies, improving spectral agreement when including combination and overtone bands.

More Related Videos

A Multimodal Wide-Field Fourier-Transform Raman Microscope
06:48

A Multimodal Wide-Field Fourier-Transform Raman Microscope

Published on: December 30, 2025

659
A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
07:52

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

Published on: April 12, 2017

13.5K

Related Experiment Videos

Last Updated: Mar 17, 2026

Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems
07:44

Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems

Published on: April 28, 2016

15.7K
A Multimodal Wide-Field Fourier-Transform Raman Microscope
06:48

A Multimodal Wide-Field Fourier-Transform Raman Microscope

Published on: December 30, 2025

659
A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
07:52

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

Published on: April 12, 2017

13.5K

Area of Science:

  • Computational Chemistry
  • Spectroscopy

Background:

  • Hyper-Raman scattering spectroscopy provides complementary information to Raman spectroscopy.
  • Accurate theoretical predictions of hyper-Raman spectra are crucial for experimental interpretation.

Purpose of the Study:

  • To present the first computational treatment of complete second-order vibrational perturbation theory for hyper-Raman scattering.
  • To investigate the impact of anharmonic corrections on hyper-Raman spectra.

Main Methods:

  • Utilized a recently developed program employing recursive routines for analytic calculation of molecular properties.
  • Applied fully analytic calculations at the second-order vibrational perturbation theory level.
  • Calculated hyper-Raman spectra for methane, ethane, and ethylene.

Main Results:

  • Demonstrated that anharmonic corrections have a greater effect on vibrational frequencies than spectral intensities.
  • Showed that including combination and overtone bands in anharmonic treatment improves agreement with experimental data.
  • Identified limitations in detailed comparison due to the quality of available experimental data.

Conclusions:

  • The developed computational approach is effective for predicting hyper-Raman spectra.
  • Anharmonic effects are important for accurate vibrational frequency prediction in hyper-Raman spectroscopy.
  • Further experimental data is needed for more comprehensive validation.