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

¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

1.3K
The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
1.3K
Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

377
Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...
377
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

2.1K
In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
2.1K
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

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

1.3K
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...
1.3K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.3K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.3K
Carbon-13 (¹³C) NMR: Overview01:10

Carbon-13 (¹³C) NMR: Overview

6.8K
Carbon-13 is a naturally occurring NMR-active isotope of carbon with a low natural abundance of 1.1%. In contrast, carbon-12 is the most abundant isotope of carbon with zero nuclear spin. Therefore, it is NMR inactive. The gyromagnetic ratio of carbon-13 is smaller than that of protons. As a result, carbon-13 resonance is about 6000 times weaker than proton resonance. For a given magnetic field strength, the resonance frequency of carbon-13 is about one-fourth of the resonance frequency for...
6.8K

You might also read

Related Articles

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

Sort by
Same author

Calculation of electric quadrupole linestrengths for diatomic molecules: Application to the H<sub>2</sub>, CO, HF, and O<sub>2</sub> molecules.

The Journal of chemical physics·2021
Same author

Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles.

The Journal of chemical physics·2021
Same author

Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH).

The Journal of chemical physics·2021
Same author

The efficient calculation of electron impact ionization cross sections with effective core potentials.

The Journal of chemical physics·2021
Same author

A spectroscopic model for the low-lying electronic states of NO.

The Journal of chemical physics·2021
Same author

Detecting handedness of spatially oriented molecules by Coulomb explosion imaging.

The Journal of chemical physics·2021

Related Experiment Video

Updated: Oct 29, 2025

Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry
07:17

Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry

Published on: August 1, 2017

12.9K

Electric quadrupole transitions in carbon dioxide.

Andrey Yachmenev1, Alain Campargue2, Sergei N Yurchenko3

  • 1Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany.

The Journal of Chemical Physics
|July 9, 2021
PubMed
Summary

Scientists predict the full electric quadrupole spectrum for carbon dioxide (CO2). These predictions aid in analyzing planetary atmospheres, including Mars, by identifying weak spectral features.

More Related Videos

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

7.0K
In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
11:38

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

16.4K

Related Experiment Videos

Last Updated: Oct 29, 2025

Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry
07:17

Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry

Published on: August 1, 2017

12.9K
Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

7.0K
In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
11:38

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

16.4K

Area of Science:

  • Molecular spectroscopy
  • Quantum chemistry
  • Planetary science

Background:

  • Electric quadrupole transitions are weak but provide valuable molecular information.
  • Carbon dioxide (CO2) is a key molecule in Earth's and planetary atmospheres.
  • High-sensitivity spectroscopy and theoretical predictions are advancing molecular studies.

Purpose of the Study:

  • To theoretically predict the complete quadrupole rovibrational spectrum of carbon dioxide (CO2).
  • To validate these predictions using experimental spectroscopic measurements.
  • To apply the predictions for analyzing atmospheric spectra, particularly from Mars.

Main Methods:

  • Accurate theoretical calculations of molecular properties.
  • High-sensitivity cavity enhanced absorption spectroscopy.
  • Analysis of mid-infrared spectroscopic data from atmospheric missions (e.g., ExoMars).

Main Results:

  • A comprehensive theoretical prediction of the CO2 quadrupole rovibrational spectrum was generated.
  • Predictions were validated against experimental spectroscopic data.
  • Weak spectral features in Martian atmospheric observations were assigned using the predicted CO2 quadrupole transitions.

Conclusions:

  • The predicted CO2 quadrupole spectrum is crucial for understanding atmospheric composition.
  • These transitions are significant for detecting minor absorbers in CO2- and water vapor-rich atmospheres.
  • The findings have implications for studying the atmospheres of Earth, Venus, and Mars.