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

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

2.1K
In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter of the molecule. This current induces a magnetic field that opposes the external field inside the ring and reinforces it on the outside. The protons in benzene are deshielded and exhibit high chemical shifts in the range 6.5–8.5 ppm. The shielding effect at the center of the ring is evident in complex aromatic molecules, such as...
2.1K
Aromatic Hydrocarbon Cations: Structural Overview01:18

Aromatic Hydrocarbon Cations: Structural Overview

4.4K
Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group...
4.4K
Criteria for Aromaticity and the Hückel 4n + 2 Rule01:20

Criteria for Aromaticity and the Hückel 4n + 2 Rule

15.3K
Like benzene, cyclobutadiene and cyclooctatetraene are cyclic compounds with alternate single and double bonds. However, their chemical behavior differs from benzene, as they are unstable and not aromatic. So, what are the structural characteristics of unsaturated compounds categorized as aromatic?
For the first time, Eric Hückel, a German chemical physicist, derived a set of structural features for a compound to be classified as aromatic. This is now known as Hückel’s rule or...
15.3K
Aromatic Hydrocarbon Anions: Structural Overview01:18

Aromatic Hydrocarbon Anions: Structural Overview

4.4K
Neutral hydrocarbons like cyclopentadiene with an odd number of carbon atoms and one intervening CH2 group in the ring are not aromatic. Cyclopentadiene with 4 π electrons does not satisfy the 4n + 2 π electron rule. Additionally, the intervening CH2 group is sp3 hybridized and lacks a vacant p orbital, thereby interrupting the overlap of p orbitals in a continuous manner and preventing the delocalization of π electrons throughout the ring.
Due to the absence of continuous...
4.4K
Frost Circles for Different Conjugated Systems01:18

Frost Circles for Different Conjugated Systems

4.4K
The inscribed polygon method is consistent with Hückel’s 4n + 2 rule and helps to learn whether the given cyclic compound is aromatic or not. The compound is stable and aromatic if every bonding molecular orbital (MO) is completely filled with a pair of electrons. However, if the non-bonding or antibonding orbitals are filled with electrons, the compound is unstable and not aromatic. Consider the Frost circle diagrams for cycloalkenes containing 4 to 8 carbons.
4.4K
Variables Affecting Phosphorescence and Fluorescence01:26

Variables Affecting Phosphorescence and Fluorescence

3.2K
Fluorescence and phosphorescence are essential phenomena in fields like analytical chemistry, biological imaging, and materials science, where they detect molecular properties and visualize cellular structures. Understanding the variables that influence these luminescent behaviors is crucial for maximizing accuracy and efficiency in their applications. These variables can broadly be grouped into chemical structure, solvent properties, and external conditions, each playing a distinct role in...
3.2K

You might also read

Related Articles

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

Sort by
Same author

Vibrational solvatochromism of rhodium pybox carbonyl complexes mediated by hydrogen bonding.

Chemical communications (Cambridge, England)·2026
Same author

Pyrrole Annulation Controls Protonation-Induced Topology Switching in π-Extended Core-Modified Figure-of-Eight Hexaphyrins.

Organic letters·2026
Same author

Pathological Pd-phenanthroline complex under standard DFT protocols.

Journal of molecular modeling·2026
Same author

Local Quadrupole Ellipticity as Predictor of Anion-Affinity in Nanographenes.

Journal of computational chemistry·2026
Same author

Bidirectional Photoswitching of a Tailored Azobenzene with Red and Far-Red Light Involving Triplet Sensitization in an Aqueous System.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)·2026
Same author

Radical-to-radical push-pull effect enhances single-molecule conductance in asymmetric diradicals.

Chemical science·2026

Related Experiment Video

Updated: Apr 14, 2026

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
11:44

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds

Published on: October 18, 2018

27.9K

Quantum Interference and Aromaticity Control in Triazine-Based Molecular Junctions: A Combined Green's Function and

Sergio Moles Quintero1, Artur Brotons-Rufes2, Irene Casademont-Reig1,3

  • 1Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Brussels, Belgium.

Journal of Computational Chemistry
|April 13, 2026
PubMed
Summary

This study explores electron transport in triazine molecules, revealing how quantum interference patterns in nitrogen-rich frameworks depend on structure. These findings offer insights into molecular electronics and material design.

Keywords:
aromaticityconductancequantum interferencesingle‐molecule junctiontriazine

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

9.3K
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

6.1K

Related Experiment Videos

Last Updated: Apr 14, 2026

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
11:44

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds

Published on: October 18, 2018

27.9K
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

9.3K
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

6.1K

Area of Science:

  • Molecular electronics
  • Quantum transport phenomena
  • Single-molecule studies

Background:

  • Charge transport at the single-molecule level is dictated by molecular structure, connectivity, and electronic delocalization.
  • Graphitic carbon nitride motifs serve as inspiration for novel molecular electronic components.

Purpose of the Study:

  • To computationally investigate electron transport through triazine-based molecular junctions.
  • To analyze quantum interference effects and their dependence on molecular architecture.
  • To understand the relationship between electronic delocalization, aromaticity, and molecular conductance.

Main Methods:

  • Utilized a bottom-up approach to model triazine monomers, heptazine, and tri-heptazine scaffolds.
  • Employed the nonequilibrium Green's function formalism combined with density functional theory (DFT).
  • Analyzed transmission spectra, local transmission pathways, and quantum interference patterns.

Main Results:

  • Nitrogen-rich conjugated frameworks exhibit diverse quantum interference patterns (constructive, destructive, shifted destructive).
  • Interference features are sensitive to molecular connectivity and substitution patterns.
  • Substituent effects modulate molecular conductance in a topology-dependent manner, correlating with electronic delocalization and aromaticity.

Conclusions:

  • Molecular connectivity and substituents significantly influence quantum interference and conductance in triazine-based systems.
  • Aromaticity descriptors correlate with transmission behavior, highlighting the role of electronic delocalization.
  • Complex interplay between transmission pathways in extended architectures leads to non-trivial aromaticity-conductance relationships.