Related Experiment Video
Updated: Aug 3, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Theoretical studies of structures and stabilities of a new odd-numbered fullerene dimer: C141
Xingfa Gao1, Hui Yuan, Zhenling Chen
1Laboratory for Nanoscale Materials & Related Bio-Environmental Health Sciences, Institute of High Energy Physics, Chinese Academy of Science, Beijing 100039, People's Republic of China.
Abstract:
The possible isomers of a newly synthesized C(141) molecule are calculated using MNDO, AM1, PM3, B3LYP/3-21G, and B3LYP/6-31G(d) methods. The geometry optimizations showed that the isomer 8-8 has the lowest total energy in all 64 possible structures of C(141). Unlike those of C(130), C(140), etc., the C(141) 8-8 shows a new structure: two C(70) side cages open [6.6] ring junctions located at the equator (instead of cap) area to create new chemical bonds for the bridge atom. Theoretical measurements of the average length of the long and short axes of C(70) side cages in the C(141) molecule reveal that when two C(70) cages are connected with each other at the equators, their geometric shapes become more spherical compared with the pristine C(70); this leads to a reduction of the molecular polarizability. Analysis of the local and global strain indicates that the global strain of C(70) monomer in the C(141) 8-8 is greatly reduced compared to the pristine C(70). The stable C(70) derivatives that are formed with reacted C-C bonds in the equator area may put new insights into fullerene chemistry, in particular, for C(70) to react with a large molecule. The results are discussed together with the experimental data.
More Related Videos
13:58Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
08:44Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
Published on: August 22, 2017
Related Concept Videos
VSEPR Theory and the Basic Shapes
Newman Projections
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.
Conformations of Cyclohexane
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,...
Chair Conformation of Cyclohexane
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this staggered...
Stability of Substituted Cyclohexanes
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
π Molecular Orbitals of 1,3-Butadiene
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...