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

Energy Diagrams, Transition States, and Intermediates02:13

Energy Diagrams, Transition States, and Intermediates

17.1K
Free-energy diagrams, or reaction coordinate diagrams, are graphs showing the energy changes that occur during a chemical reaction. The reaction coordinate represented on the horizontal axis shows how far the reaction has progressed structurally. Positions along the x-axis close to the reactants have structures resembling the reactants, while positions close to the products resemble the products.  Peaks on the energy diagram represent stable structures with measurable lifetimes, while...
17.1K
Fermi Level Dynamics01:12

Fermi Level Dynamics

330
The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
330
Cooperative Allosteric Transitions01:58

Cooperative Allosteric Transitions

2.3K
2.3K
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

1.7K
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...
1.7K
Deactivation Processes: Jablonski Diagram01:25

Deactivation Processes: Jablonski Diagram

836
Luminescence, the emission of light by a substance that has absorbed energy, is a process that involves the interaction of molecules with light. The energy-level diagram, or Jablonski diagram, is a graphical representation of these interactions, illustrating the various states and transitions a molecule can undergo. In a typical Jablonski diagram, the lowest horizontal line represents the ground-state energy of the molecule, which is usually a singlet state. This state represents the energies...
836
Free Energy Changes for Nonstandard States03:25

Free Energy Changes for Nonstandard States

11.6K
The free energy change for a process taking place with reactants and products present under nonstandard conditions (pressures other than 1 bar; concentrations other than 1 M) is related to the standard free energy change according to this equation:
 
where R is the gas constant (8.314 J/K·mol), T is the absolute temperature in kelvin, and Q is the reaction quotient. This equation may be used to predict the spontaneity of a process under any given set of conditions.
Reaction Quotient...
11.6K

You might also read

Related Articles

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

Sort by
Same author

Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.

Journal of chemical theory and computation·2026
Same author

Vibrational and Electronic Spectroscopies of Dibenzoterrylene Conformers: Computational Insights.

The journal of physical chemistry letters·2026
Same author

Enhancing Molecular Dipole Moment Prediction with Multitask Machine Learning.

The journal of physical chemistry letters·2026
Same author

Effects of Mutations on Tandem-Repeat Proteins Conformation Mechanisms. Application to the Phosphatase PP2A.

Journal of chemical information and modeling·2026
Same author

A Visual Understanding of Circular Dichroism Spectroscopy.

ACS nano·2026
Same author

Chirality transfer from chiral perovskite to molecular dopants via charge transfer states.

Nature communications·2026

Related Experiment Video

Updated: Aug 29, 2025

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

Infinitene: Computational Insights from Nonadiabatic Excited State Dynamics.

Victor Manuel Freixas1, Sergei Tretiak2, Sebastian Fernandez-Alberti1

  • 1Departamento de Ciencia y Tecnologia, Universidad Nacional de Quilmes/CONICET, B1876BXD Bernal, Argentina.

The Journal of Physical Chemistry Letters
|September 6, 2022
PubMed
Summary

Researchers explored the photophysics of infinitene, a novel looped polyarene. Atomistic modeling revealed unique energy relaxation pathways, offering insights for future optoelectronic applications.

More Related Videos

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

8.5K
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

8.8K

Related Experiment Videos

Last Updated: Aug 29, 2025

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
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

8.5K
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

8.8K

Area of Science:

  • Organic Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Recent advances in organic synthesis yield molecules with novel topologies, such as infinitene.
  • Infinitene is a helically twisted, figure-eight shaped looped polyarene.
  • Looped polyarenes feature π-conjugation controlled by strain and steric hindrance, leading to unique optoelectronic properties.

Purpose of the Study:

  • To investigate the unexplored photophysical properties of the recently synthesized infinitene molecule.
  • To understand the intramolecular electronic and vibrational energy dynamics following photoexcitation.
  • To establish structure-property relationships for future molecular design.

Main Methods:

  • Atomistic nonadiabatic excited state molecular dynamics modeling.
  • Simulation of photoexcitation and subsequent energy relaxation processes.
  • Analysis of electronic and vibrational energy transfer within the molecule.

Main Results:

  • Unveiled unique features in intramolecular electronic and vibrational energy relaxation and redistribution.
  • Detailed the dynamics of energy flow after molecular photoexcitation.
  • Established relationships between the molecule's optical and electronic characteristics.

Conclusions:

  • The study provides fundamental insights into the photophysical behavior of infinitene.
  • Identified key mechanisms governing energy relaxation in this novel molecular structure.
  • Offers valuable knowledge for designing future molecules with tailored optoelectronic properties for nanoelectronics and photonics.