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 Experiment Videos

Triradicals.

Anna I Krylov1

  • 1Department of Chemistry, University of Southern California, SSC 409A, Los Angeles, California 90089-0482, USA.

The Journal of Physical Chemistry. A
|July 26, 2006
PubMed
Summary
This summary is machine-generated.

This study reveals unusual bonding in triradicals using a novel spin-flip method. These partial bonds between radical centers significantly impact electronic structure and stability.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

A Fresh Look at Signatures of <i>s</i>-Wave Scattering: Symmetry and the Breakdown of the Born-Oppenheimer Approximation.

The journal of physical chemistry. A·2026
Same author

Collision-induced fragmentation of the EMI-BF4 propellant in electrospray thrusters: Ab initio molecular dynamics simulations.

The Journal of chemical physics·2026
Same author

Dynamic breaking of mirror symmetry in spin-dependent electron transport through chiral media causes enantiomeric excesses.

Science advances·2026
Same author

Optical Properties of New Donor-Acceptor Dyes for RNA Imaging: Insights from Ab Initio and Hückel's Model Calculations.

The journal of physical chemistry. B·2026
Same author

Equation-of-motion coupled-cluster methods for doubly ionized and doubly electron-attached states with single, double, and triple substitutions: Theory, implementation, and benchmarks.

The Journal of chemical physics·2026
Same author

Analytic gradients for EOM-DEA-CCSD and EOM-DIP-CCSD: Theory, implementation, and application to diradicals.

The Journal of chemical physics·2026
Same journal

Porphyrin Aggregation Revisited: From the Four-Orbital Gouterman Model to an Eight-Orbital Framework in Porphin H-Dimers.

The journal of physical chemistry. A·2026
Same journal

Unraveling the Electronic Origin of Selectivity in Ambimodal Transition States with Valence Bond Theory.

The journal of physical chemistry. A·2026
Same journal

Mechanism and Kinetics of the Initial Oxidative Ring-Opening of Corannulene Radicals under Combustion Conditions.

The journal of physical chemistry. A·2026
Same journal

High-Resolution Absorption Spectroscopy of ND<sub>3</sub> between 59,000 and 93,000 cm<sup>-1</sup>.

The journal of physical chemistry. A·2026
Same journal

Twisted-Driven Photoionization of Aligned Chiral Molecules: Signatures of Circular and Helical Dichroism.

The journal of physical chemistry. A·2026
Same journal

Modeling the Clustering of Fumaric/Maleic Acid with Water and Na<sup>+</sup>, Cl<sup>-</sup> Ions.

The journal of physical chemistry. A·2026
See all related articles

Area of Science:

  • Quantum Chemistry
  • Chemical Bonding
  • Molecular Spectroscopy

Background:

  • Triradicals, molecules with three unpaired electrons, exhibit unique electronic properties.
  • Understanding the interactions between radical centers is crucial for predicting molecular behavior.

Purpose of the Study:

  • To characterize the electronic structure of prototypical triradicals.
  • To investigate the nature and consequences of bonding between radical centers.

Main Methods:

  • Novel spin-flip approach for electronic structure characterization.
  • Determination of structural, spectroscopic, and thermochemical properties.

Main Results:

  • Identified unusual bonding patterns arising from interactions of unpaired electrons.

Related Experiment Videos

  • Quantified partial bond strengths between radical centers, ranging from 0.5 to 32 kcal/mol.
  • Observed shorter inter-radical distances in triradicals compared to closed-shell precursors.

    • Conclusions:

    • Partial bonds in triradicals significantly influence their electronic structure and stability.
    • Ground states of triradicals can be quartet or doublet, depending on molecular orbital configurations.