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

Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse.
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

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 slanted or...
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

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 process,...
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

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 the...
UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

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.
One of the factors influencing λmax is the extent of conjugation in the...
IR Spectroscopy: Molecular Vibration Overview01:24

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...

You might also read

Related Articles

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

Sort by
Same author

Association of World Trade Center (WTC) Occupational Exposure Intensity with Chronic Obstructive Pulmonary Disease (COPD) and Asthma COPD Overlap (ACO).

Lung·2023
Same author

Temporal association of prostate cancer incidence with World Trade Center rescue/recovery work.

Occupational and environmental medicine·2021
Same author

Association of low FVC spirometric pattern with WTC occupational exposures.

Respiratory medicine·2020
Same author

Excess HPV-related head and neck cancer in the world trade center health program general responder cohort.

International journal of cancer·2018
Same author

Development of a Physiological Frailty Index for the World Trade Center General Responder Cohort.

Current gerontology and geriatrics research·2018
Same author

Assessment of cumulative health risk in the World Trade Center general responder cohort.

American journal of industrial medicine·2017
Same journal

Revisiting crossed-correlated baths in open quantum systems simulated by HEOM or T-TEDOPA.

The Journal of chemical physics·2026
Same journal

Vesicle size and membrane composition control monomer transfer pathways in multicomponent lipid vesicles.

The Journal of chemical physics·2026
Same journal

Polaron-mediated exciton dynamics of P(NDI2OD-T2) unveiled by transient absorption spectroscopy under electrochemical conditions.

The Journal of chemical physics·2026
Same journal

Green-Kubo relation in a mesoscale odd fluid model.

The Journal of chemical physics·2026
Same journal

Nitrogenation of microscopic MoS2 surfaces by oxidation scanning probe lithography.

The Journal of chemical physics·2026
Same journal

Molecular structure, binding, and disorder in TDBC-Ag plexcitonic assemblies.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: Jun 3, 2026

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
10:03

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy

Published on: June 27, 2014

Inversion of two-dimensional potentials from frequency-resolved spectroscopic data.

Xuan Li1, Moshe Shapiro

  • 1Department of Chemistry, The University of British Columbia, Vancouver, Canada. xli3536@chem.ubc.ca

The Journal of Chemical Physics
|March 10, 2011
PubMed
Summary
This summary is machine-generated.

Researchers reconstructed two-dimensional potential energy surfaces (PES) using frequency-resolved fluorescence or absorption lines. This method accurately maps excited state PES, even with complex molecular structures and missing data.

More Related Videos

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy
08:49

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Published on: December 1, 2023

Applying X-ray Imaging Crystal Spectroscopy for Use as a High Temperature Plasma Diagnostic
06:46

Applying X-ray Imaging Crystal Spectroscopy for Use as a High Temperature Plasma Diagnostic

Published on: August 25, 2016

Related Experiment Videos

Last Updated: Jun 3, 2026

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
10:03

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy

Published on: June 27, 2014

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy
08:49

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Published on: December 1, 2023

Applying X-ray Imaging Crystal Spectroscopy for Use as a High Temperature Plasma Diagnostic
06:46

Applying X-ray Imaging Crystal Spectroscopy for Use as a High Temperature Plasma Diagnostic

Published on: August 25, 2016

Area of Science:

  • Quantum Chemistry
  • Spectroscopy
  • Computational Chemistry

Background:

  • Potential energy surfaces (PES) are fundamental to understanding molecular structure, dynamics, and reactivity.
  • Accurate determination of excited state PES is crucial for photochemistry and spectroscopy.
  • Traditional methods for PES reconstruction can be computationally intensive and limited in accuracy.

Purpose of the Study:

  • To develop a novel method for reconstructing two-dimensional potential energy surfaces (PES) from spectroscopic data.
  • To demonstrate the capability of this method for accurately determining excited state PES.
  • To validate the accuracy of the developed inversion procedure across different regions of the PES.

Main Methods:

  • Utilizing the magnitudes and positions of frequency-resolved fluorescence or absorption lines.
  • Extracting the phases of transition-dipole matrix elements.
  • Performing a point-by-point reconstruction of the two-dimensional excited state PES.

Main Results:

  • Successful reconstruction of two-dimensional PES using spectroscopic line data.
  • High accuracy achieved, with typical RMS errors <0.002 cm⁻¹ in classically allowed regions.
  • Robust performance even for PES with multiple minima and incomplete spectral data.

Conclusions:

  • The developed inversion procedure provides a highly accurate and efficient method for reconstructing two-dimensional PES.
  • This technique offers a powerful tool for characterizing excited state PES in molecular systems.
  • The method's accuracy in both classically allowed and forbidden regions enhances its applicability in diverse chemical contexts.