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

Aromatic Hydrocarbon Anions: Structural Overview01:18

Aromatic Hydrocarbon Anions: Structural Overview

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 overlap of p...
VSEPR Theory and the Basic Shapes02:52

VSEPR Theory and the Basic Shapes

Overview of VSEPR Theory
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
Frost Circles for Different Conjugated Systems01:18

Frost Circles for Different Conjugated Systems

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.
π Molecular Orbitals of 1,3-Butadiene01:24

π Molecular Orbitals of 1,3-Butadiene

Conjugated dienes have lower heats of hydrogenation than cumulated and isolated dienes, making them more stable. The enhanced stabilization of conjugated systems can be understood from their π molecular orbitals.
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
Radicals: Electronic Structure and Geometry01:07

Radicals: Electronic Structure and Geometry

This lesson delves into the geometry of a radical, which is influenced by the electronic structure of the molecule. The principle is similar to that of a lone pair, where the unpaired electron influences the geometry at the radical center.
Accordingly, the structure of a trivalent radical lies between the geometries of carbocations and carbanions. An sp2-hybridized carbocation is trigonal planar, while an sp3-hybridized carbanion is trigonal pyramidal. Here, the difference in geometry is...

You might also read

Related Articles

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

Sort by
Same author

Random walks and the electronic structure of graphene.

The Journal of chemical physics·2026
Same author

Perturbing Pentalene: Aromaticity and Antiaromaticity in a Non-Alternant Polycyclic Aromatic Hydrocarbon and BN-Heteroanalogues.

Chemphyschem : a European journal of chemical physics and physical chemistry·2025
Same author

Ring Currents in the Clar Goblet Calculated Using Configurational State Averaging.

The journal of physical chemistry. A·2024
Same author

Tuning (Anti)Aromaticity: Variations on the [8]-Circulene Framework.

Chemphyschem : a European journal of chemical physics and physical chemistry·2024
Same author

<i>Per</i>iodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents.

The journal of physical chemistry. A·2021
Same author

A Correlated Source-Sink-Potential Model Consistent with the Meir-Wingreen Formula.

The journal of physical chemistry. A·2020

Related Experiment Video

Updated: Jun 8, 2026

Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
09:35

Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units

Published on: September 18, 2016

Non-IPR fullerenes with properly closed shells.

Patrick W Fowler1, Wendy Myrvold

  • 1Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK. P.W.Fowler@sheffield.ac.uk

Physical Chemistry Chemical Physics : PCCP
|October 12, 2010
PubMed
Summary

Researchers discovered novel fullerenes, termed "super-sporadic" fullerenes, which possess closed shells but violate the isolated-pentagon rule (IPR). These findings expand the known stable fullerene structures beyond IPR compliance.

More Related Videos

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks
05:26

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks

Published on: February 10, 2023

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Related Experiment Videos

Last Updated: Jun 8, 2026

Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
09:35

Preparation of a Corannulene-functionalized Hexahelicene by Copper(I)-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units

Published on: September 18, 2016

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks
05:26

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks

Published on: February 10, 2023

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Area of Science:

  • Nanotechnology
  • Materials Science
  • Computational Chemistry

Background:

  • Fullerenes with properly closed shells are rare and typically adhere to the isolated-pentagon rule (IPR).
  • The IPR is generally considered essential for fullerene stability.
  • Known closed-shell fullerenes fall into specific structural series.

Purpose of the Study:

  • To investigate the existence of fullerenes with properly closed shells that violate the IPR.
  • To identify and characterize these non-IPR fullerenes.
  • To explore methods for constructing new classes of such fullerenes.

Main Methods:

  • Exhaustive computational search for fullerenes with specific properties.
  • Analysis of fullerene adjacency eigenvalues and LUMO energy levels.
  • Development of capping and tubular extension construction methods.

Main Results:

  • Four new "super-sporadic" fullerenes violating the IPR were identified (C120, C156 isomers, C160).
  • These structures exhibit negative LUMO eigenvalues of small magnitude.
  • Two novel construction methods yielded infinite series of super-sporadic fullerenes.

Conclusions:

  • Properly closed shell fullerenes can exist without adhering to the IPR.
  • Super-sporadic fullerenes represent a new class of stable fullerene structures.
  • The discovered construction methods provide pathways to a vast number of novel fullerene isomers.