Fullerenes

Darwish, Adam D.

doi:10.1039/b612961g

Cited by 5 publications

(2 citation statements)

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“…Conjugated sp 2 -hybridized carbon nanomaterials include fullerenes, carbon nanotubes (CNTs), and graphene. There have been a number of reviews of the reactivity of fullerenes (including their organometallic chemistry). − In addition, a themed issue on “Organometallic and Coordination Chemistry of Carbon Nanomaterials” covering some recent advances in organometallic chemistry of fullerenes was recently published in Dalton Transactions . However, the organometallic reactivity of CNTs and graphene has received substantially less attention and has not been systematically reviewed.…”

Section: Introductionmentioning

confidence: 99%

Advances in the Organometallic Chemistry of Carbon Nanomaterials

Brennan

Gun’ko

2015

Organometallics

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Section: Introductionmentioning

confidence: 99%

Advances in the Organometallic Chemistry of Carbon Nanomaterials

Brennan

Gun’ko

2015

Organometallics

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“…Cage carbon molecules, fullerenes, form a new class of carbon compounds having a number of unique properties. Reactions involving fullerenes with a variety of species have produced a series of derivatives 1. Halogenation is of considerable interest in fullerene chemistry because attached halogen atoms strongly change the electronic structure of fullerene, with the cage structure retaining.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure of the chlorinated fullerene C₆₀Cl₃₀ studied by quantum chemical modeling of X‐ray absorption spectra

Fedoseeva

Bulusheva

Окотруб

et al. 2010

Int J of Quantum Chemistry

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Electronic structure of the chlorinated fullerene D 3d -C 60 Cl 30 has been studied using X-ray photoelectron spectroscopy (XPS), X-ray absorption near-edge spectroscopy (XANES), and quantum chemical B3LYP calculations. The calculated shift of the core C 1s lines corresponding to the chlorinated carbon atoms and bare carbon atoms was shown to well agree with the experimental value obtained from the XPS data. This shift was taken into account in the construction of the theoretical XANES spectra near the C K-edge of the molecule. Ground-state calculation of D 3d -C 60 Cl 30 and calculations of C 59 NCl þ 30 and C 60 Cl 29 Ar þ ions simulating the excited states of the chlorinated fullerene (Z þ 1 approximation) were used for modeling of C K-edge and Cl L-edge XANES data. A satisfactory agreement between experiment and theory was obtained in the case of Z þ 1 approximation. Distinctions between the structure of the lowest unoccupied levels in the ground state and the C 1s excited state of D 3d -C 60 Cl 30 have been revealed.

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