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

1.9K
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...
1.9K
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

1.9K
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...
1.9K
Molecular Spectroscopy: Absorption and Emission01:14

Molecular Spectroscopy: Absorption and Emission

3.6K
Molecules possess discrete energy levels called quantum states. Unlike atoms, which have simpler energy levels, molecules possess additional rotational and vibrational energy levels.  Each energy level is separated by an energy gap, with the gaps between adjacent electronic, vibrational, and rotational levels varying significantly. The three types of energy levels in a diatomic molecule are shown in Figure 1.
3.6K
UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

7.5K
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...
7.5K
Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview01:02

Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview

3.3K
Ultraviolet–visible (UV–visible or UV–Vis) spectroscopy is an analytical technique that investigates the interaction between matter and UV–Vis light within the electromagnetic spectrum. This method is widely used for its versatility, simplicity, and relatively quick data acquisition, making it valuable for both qualitative and quantitative analysis. When UV–Vis radiation passes through a material,  molecules absorb light depending on the energy required for...
3.3K
UV–Vis Spectroscopy: Woodward–Fieser Rules01:29

UV–Vis Spectroscopy: Woodward–Fieser Rules

26.1K
UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...
26.1K

You might also read

Related Articles

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

Sort by
Same author

Voltage fluctuations and probe frequency jitter in electric force microscopy of a conductor.

The Journal of chemical physics·2023
Same author

Noncontact Friction in Electric Force Microscopy over a Conductor with Nonlocal Dielectric Response.

The journal of physical chemistry. A·2022
Same author

2D electronic-vibrational spectroscopy with classical trajectories.

The Journal of chemical physics·2022
Same author

Two-dimensional vibronic spectroscopy with semiclassical thermofield dynamics.

The Journal of chemical physics·2022
Same author

Two-dimensional vibrational-electronic spectra with semiclassical mechanics.

The Journal of chemical physics·2021
Same author

Spectroscopic response theory with classical mapping Hamiltonians.

The Journal of chemical physics·2020

Related Experiment Video

Updated: Oct 5, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.6K

Calculating Multidimensional Optical Spectra from Classical Trajectories.

Roger F Loring1

  • 1Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York, USA;

Annual Review of Physical Chemistry
|January 21, 2022
PubMed
Summary
This summary is machine-generated.

This study reviews semiclassical methods for analyzing complex multidimensional optical spectra. These trajectory-based techniques offer a practical alternative to quantum dynamics for understanding molecular interactions and dynamics.

Keywords:
nonlinear optical spectroscopysemiclassical mechanicstwo-dimensional electronic spectroscopytwo-dimensional infrared spectroscopytwo-dimensional vibrational-electronic spectroscopy

More Related Videos

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
07:11

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis

Published on: August 19, 2021

2.6K
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K

Related Experiment Videos

Last Updated: Oct 5, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.6K
ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
07:11

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis

Published on: August 19, 2021

2.6K
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K

Area of Science:

  • Spectroscopy
  • Quantum Dynamics
  • Computational Chemistry

Background:

  • Multidimensional optical spectra reveal molecular interactions and dynamics not seen in linear absorption.
  • Interpreting these complex spectra requires theoretical modeling with quantum dynamics.
  • Quantum dynamics calculations can be computationally challenging, especially for condensed-phase systems.

Purpose of the Study:

  • To review recent applications of semiclassical, trajectory-based methods.
  • To highlight these methods as practical alternatives for spectral interpretation.
  • To address computational challenges in quantum dynamics for spectroscopy.

Main Methods:

  • Semiclassical methods
  • Trajectory-based calculations
  • Nonlinear molecular spectroscopy (vibrational and electronic)

Main Results:

  • Semiclassical methods provide a computationally feasible approach to interpret complex spectra.
  • Trajectory-based calculations can effectively model molecular dynamics relevant to nonlinear spectra.
  • Recent applications demonstrate the utility of these methods in condensed-phase systems.

Conclusions:

  • Semiclassical, trajectory-based methods are valuable tools for analyzing multidimensional optical spectra.
  • These methods overcome computational limitations of full quantum dynamics.
  • They offer a practical route to understanding molecular behavior through advanced spectroscopic techniques.