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

UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

2.7K
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...
2.7K
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

2.8K
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...
2.8K
UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

8.2K
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...
8.2K
Molecular Spectroscopy: Absorption and Emission01:14

Molecular Spectroscopy: Absorption and Emission

4.3K
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.
4.3K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

47.0K
Overview of Molecular Orbital Theory
47.0K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.6K
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,...
1.6K

You might also read

Related Articles

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

Sort by
Same author

Cavity-mediated enhancement of CISS in DNA junctions.

Physical chemistry chemical physics : PCCP·2025
Same author

Nonlinear optical spectroscopy of open quantum systems.

The Journal of chemical physics·2025
Same author

Two-Dimensional Spectroscopy of Open Quantum Systems: Nonequilibrium Green's Function Formulation.

The journal of physical chemistry letters·2025
Same author

Liouvillian exceptional points of an open driven two-level system.

The Journal of chemical physics·2024
Same author

Exceptional points treatment of cavity spectroscopies.

The Journal of chemical physics·2023
Same author

Juan Luis Ramos: An exceptional Editor of Environmental Microbiology.

Environmental microbiology·2022

Related Experiment Video

Updated: Jan 19, 2026

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

8.9K

Simulation of optical response functions in molecular junctions.

Yi Gao1, Michael Galperin1

  • 1Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, USA.

The Journal of Chemical Physics
|July 3, 2016
PubMed
Summary

This study introduces a new theoretical framework for nonlinear optical spectroscopy in molecular junctions. The novel Green function approach accurately models molecular interactions and contact hybridization, outperforming traditional methods.

More Related Videos

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

6.0K
Single-Molecule Förster Resonance Energy Transfer Methods for Real-Time Investigation of the Holliday Junction Resolution by GEN1
11:27

Single-Molecule Förster Resonance Energy Transfer Methods for Real-Time Investigation of the Holliday Junction Resolution by GEN1

Published on: September 18, 2019

10.0K

Related Experiment Videos

Last Updated: Jan 19, 2026

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

8.9K
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

6.0K
Single-Molecule Förster Resonance Energy Transfer Methods for Real-Time Investigation of the Holliday Junction Resolution by GEN1
11:27

Single-Molecule Förster Resonance Energy Transfer Methods for Real-Time Investigation of the Holliday Junction Resolution by GEN1

Published on: September 18, 2019

10.0K

Area of Science:

  • Quantum Chemistry
  • Spectroscopy
  • Condensed Matter Physics

Background:

  • Nonlinear optical spectroscopy is crucial for understanding molecular electronic properties.
  • Current theoretical methods struggle to accurately describe complex molecular junction systems.
  • Accurate modeling requires accounting for both intramolecular dynamics and electronic coupling to contacts.

Purpose of the Study:

  • To develop a robust theoretical framework for nonlinear optical spectroscopy of molecular junctions.
  • To provide a method that incorporates intramolecular interactions and contact hybridization.
  • To offer an alternative to traditional approaches that fail in complex scenarios.

Main Methods:

  • Derivation of optical response functions using Green function techniques.
  • Formulation in terms of pseudoparticle nonequilibrium Green functions.
  • Application to a generic model and two-dimensional optical spectroscopy.

Main Results:

  • The proposed Green function approach successfully accounts for intramolecular interactions.
  • Hybridization of molecular states with contact states is effectively modeled.
  • The methodology demonstrates superior performance compared to the traditional Liouville space approach, especially in complex systems.

Conclusions:

  • The developed Green function formalism offers a powerful tool for theoretical investigations of molecular junctions.
  • This approach provides a more accurate and versatile method for nonlinear optical spectroscopy.
  • The findings pave the way for deeper insights into charge transport and optical properties of molecular devices.