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Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this staggered...
Conformations of Cyclohexane02:11

Conformations of Cyclohexane

Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal tetrahedral value,...
Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
Metallic Solids02:37

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Newman Projections02:06

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.
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...

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Updated: Jun 23, 2026

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

Structures of Binary C60-C84 fullerene clusters.

G J Bubnis1, H R Mayne

  • 1Department of Chemistry, University of New Hampshire, Durham, New Hampshire 03824, USA.

The Journal of Physical Chemistry. A
|April 18, 2009
PubMed
Summary
This summary is machine-generated.

Researchers explored fullerene cluster structures using basin-hopping. Novel polyicosahedral arrangements were found in binary fullerene clusters, differing from homogeneous cluster packing. This reveals new insights into fullerene cluster stability.

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Preparation and Characterization of C60/Graphene Hybrid Nanostructures
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Preparation and Characterization of C60/Graphene Hybrid Nanostructures

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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

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Last Updated: Jun 23, 2026

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

Preparation and Characterization of C60/Graphene Hybrid Nanostructures
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Preparation and Characterization of C60/Graphene Hybrid Nanostructures

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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

Area of Science:

  • Computational chemistry
  • Materials science
  • Nanotechnology

Background:

  • Fullerene clusters are crucial in materials science.
  • Understanding their global minimum (GM) structures is key to predicting properties.
  • Previous studies focused on homogeneous clusters, leaving binary systems less explored.

Purpose of the Study:

  • To systematically investigate the global minimum (GM) structures of binary fullerene clusters.
  • To compare packing motifs in binary versus homogeneous fullerene systems.
  • To identify novel structures and packing behaviors in mixed fullerene clusters.

Main Methods:

  • Utilized the basin-hopping method for global structure optimization.
  • Employed the stiff Girifalco pair potential for interatomic interactions.
  • Analyzed cluster compositions of (C60)n(C84)(N-n) for N <= 24.

Main Results:

  • Discovered a novel D(5) global minimum geometry for the homogeneous 13-particle C84 cluster.
  • Observed polyicosahedral structures as a dominant packing motif in binary fullerene clusters, unlike the decahedral motif in homogeneous clusters.
  • Identified a "stacked" polyicosahedral motif for N=23 and N=24, indicating reduced strain.
  • Found Mackay-icosahedron based GMs for (C60)1(C84)(N-1) clusters where N > 18.

Conclusions:

  • Binary fullerene clusters exhibit distinct packing preferences (polyicosahedral) compared to homogeneous clusters.
  • Favorable size ratios between C60 and C84 contribute to reduced strain and unique structures.
  • The study provides a deeper understanding of the structural diversity and stability of binary fullerene systems.