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

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...
Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...
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...
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...
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.
IR Spectrometers01:25

IR Spectrometers

There are two main infrared (IR) spectrophotometers: dispersive IR spectrometers and Fourier transform infrared (FTIR) spectrometers. In a dispersive IR spectrometer, a beam of infrared radiation produced by a hot wire is divided into two parallel equal-intensity beams using mirrors. One beam passes through the sample, while another is a reference beam. The beams then move through the monochromator, which separates the radiations into a continuous spectrum of different frequencies. The...

You might also read

Related Articles

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

Sort by
Same author

Fourth-order extension of multichromophoric Förster energy transfer.

The Journal of chemical physics·2026
Same author

Simulated pH-difference infrared spectra: Application to the PsbS monomer.

The Journal of chemical physics·2026
Same author

Fluorescence-detected two-dimensional electronic spectroscopy: A coarse-grained simulation approach.

The Journal of chemical physics·2026
Same author

Biomolecular dynamics using optical methods-Theory and experiment.

The Journal of chemical physics·2026
Same author

Modeling incoherent exciton transport between chlorosome tubes.

The Journal of chemical physics·2026
Same author

Directly Measuring the Connectivity between Isoenergetic Light-Harvesting Antennas in Plant Photosystem II at Physiological Temperature.

The journal of physical chemistry letters·2026

Related Experiment Video

Updated: Jun 23, 2026

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data
08:12

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data

Published on: February 16, 2024

Waiting time dynamics in two-dimensional infrared spectroscopy.

Thomas L C Jansen1, Jasper Knoester

  • 1Center for Theoretical Physics and Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands. t.l.c.jansen@rug.nl

Accounts of Chemical Research
|April 28, 2009
PubMed
Summary
This summary is machine-generated.

Coherent two-dimensional infrared (2DIR) spectroscopy reveals ultrafast chemical dynamics. The numerical integration of the Schrodinger equation (NISE) method accurately models complex molecular processes, aiding interpretation of congested spectra.

More Related Videos

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
10:35

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals

Published on: May 29, 2018

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

Related Experiment Videos

Last Updated: Jun 23, 2026

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data
08:12

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data

Published on: February 16, 2024

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
10:35

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals

Published on: May 29, 2018

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

Area of Science:

  • Physical Chemistry
  • Spectroscopy
  • Computational Chemistry

Background:

  • Coherent two-dimensional infrared (2DIR) spectroscopy probes femto- and picosecond chemical dynamics, faster than other methods like NMR.
  • Chemically relevant processes include hydrogen bond dynamics, proton transfer, and vibrational energy transfer.
  • 2DIR spectra are often congested, making interpretation difficult without theoretical models.

Purpose of the Study:

  • To review recent advancements in analyzing waiting time dynamics in 2DIR spectroscopy.
  • To highlight the utility of the numerical integration of the Schrodinger equation (NISE) method for interpreting complex spectral data.
  • To demonstrate the application of NISE in studying chemical reactions and energy transfer in molecular systems.

Main Methods:

  • Review of theoretical models and simulations for 2DIR spectroscopy.
  • Application of the numerical integration of the Schrodinger equation (NISE) method.
  • Simultaneous accounting for motional narrowing, population transfer, frequency shifts, and transition dipole changes.

Main Results:

  • NISE accurately disentangles multiple dynamical processes contributing to 2DIR spectra.
  • Demonstrated sensitivity of 2DIR and NISE to reaction kinetics and dynamics.
  • Successful application to study population transfer in polypeptides and vibrational relaxation pathways.
  • Enabled study of large systems like bulk water by incorporating coupled vibrations.

Conclusions:

  • NISE is a powerful, general method for analyzing complex 2DIR waiting time dynamics.
  • 2DIR spectroscopy, aided by NISE, provides detailed insights into ultrafast chemical and physical processes.
  • The method's applicability extends to large, complex systems, advancing molecular dynamics studies.