Results 151 to 160 of about 19,958 (191)

Chlorides of isomeric C78 fullerenes: C78(1)Cl30, C78(2)Cl30, and C78(2)Cl18

Mendeleev Communications, 2010
Addition patterns of isomeric C78(1)Cl30 and C78(2)Cl30 respectively show striking differences, which concern the formation of extended vs. small ring aromatic systems, the presence vs. the absence of triple Cl···Cl contacts and chlorinated sites of triple hexagon junctions.
Erhard Kemnitz, Sergey I. Troyanov
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Isomer C78(2) captured as the perfluoroethyl derivative C78(C2F5)10

Mendeleev Communications, 2009
The pentafluoroethylation of higher fullerenes followed by the HPLC separation of C2F5 derivatives resulted in the isolation of C78(C2F5)10, the molecular structure of which was determined by single crystal X-ray crystallography and revealed the presence of a C78(2) isomeric cage.
Nadezhda B. Tamm, Sergey I. Troyanov
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Relative stability of C78 isomers

Chemical Physics Letters, 1992
Abstract The structural and electronic properties of the five C78 isolated-pentagon isomers are studied using all-electron local-density functional calculations with complete geometry optimization. The results are compared with available experimental data, and suggest that kinetic factors play an important role in the formation of large fullerenes.
X.-Q. Wang, C.Z. Wang, B.L. Zhang, K.M. Ho   +3 more
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Photochemical Cycloaddition of C78 with Disilirane

Chemistry Letters, 2001
Abstract The photochemical cycloaddition of C78(C2v+D3) with disilirane 1 only gave the adducts of C78(C2v). The D3 isomer of C78 did give no adduct with 1. The two mono-adducts were firstly isolated by a multi-stage HPLC, and characterized on the basis of the spectroscopic data.
Aihong Han, Takatsugu Wakahara, Yutaka Maeda, Yasuyuki Niino, Takeshi Akasaka, Kazunori Yamamoto, Masahiro Kako, Yasuhiro Nakadaira, Kaoru Kobayashi, Shigeru Nagase   +9 more
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Ultraviolet photoelectron spectra of C78 and C96

Chemical Physics Letters, 1994
Abstract Ultraviolet photoelectron spectra of higher fullerenes C78 and C96 are measured with a synchrotron radiation light source. The spectral intensity oscillates and the peak positions shift, when the incident photon energy is changed. The hv = 20 eV spectrum of C78 resembles that of C76, which suggests their analogous electronic structures ...
Shojun Hino, Hiroaki Takahashi, Kentaro Iwasaki, Takafumi Miyazaki, Koichi Kikuchi, Yohji Achiba   +5 more
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Stable polymers of C74 and C78 fullerenes

Chemical Physics Letters, 2000
Abstract We report on new stable polymerized fullerites consisting of large fullerenes. Using the empirical many-body model potential for C atoms, we find that C 74 and C 78 (C 2 v ′) fullerenes possess stable infinite covalent networks in which C 74 and C 78 fullerenes form two-dimensional hexagonal lattice and one-dimensional chain ...
S. Okada, S. Saito
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Structural and electronic properties of C78 isomers

The Journal of Chemical Physics, 1995
The structural and electronic properties of the five isolated-pentagon fullerene isomers of C78 were studied employing various quantum-chemistry methods ranging from the self-consistent Hartree–Fock method to the local-density-functional theory. Our results reveal that the energy ordering difference for the Hartree–Fock and local density functional ...
J. C. Niles, X. Q. Wang
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Pressure-Controlled Selective Isomer Formation of Fullerene C78

The Journal of Physical Chemistry, 1994
The isomer formation of three isomers of C[sub 78] fullerene is discussed on the basis of experimental evidence revealed by pressure-controlled fullerene production. Theoretically predicted most stable isomer, C[sub 2v][prime]-C[sub 78] has been found to be very sensitive to the graphite burning condition.
T. Wakabayashi, K. Kikuchi, S. Suzuki, H. Shiromaru, Y. Achiba   +4 more
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Theoretical Study on Molecular Electrostatic Potential of C78

Journal of Rare Earths, 2007
Abstract Density functional theory (DFT) was applied at the B3LYP/6-31G * level to investigate the relative stability of the five fullerene isomers as well as the anions of C 78 . Full geometry optimization was carried out and distributions of electrostatic potential were calculated.
Donglai Wang, Hongtao Shen, Yuchun Zhai
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Ti2C80 is more likely a titanium carbide endohedral metallofullerene (Ti2C2)@C78

Chemical Communications, 2005
We show by means of density functional calculations that the previously synthesized metallofullerene Ti2C80 does not take the form of Ti2@C80, but is a titanium carbide endohedral metallofullerene, Ti2C2@C78, that has a C78(6-)(D3h) cage which follows faithfully the stable closed-shell electronic rule.
Kai Tan, Xin Lu
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