Interactions between cyclic carbon clusters

Aleksandrov, A. L.; Bedanov, Vladimir M.; Morokov, Yu. N.; Shveigert, V. A.

doi:10.1007/bf02578547

Cited by 3 publications

(2 citation statements)

References 9 publications

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“…Recent highresolution measurements 23 for C n -have revealed the splitting of monocyclic ring peak into two or more features for all n g 13. These have been assigned to "tadpoles" (rings with chains attached proposed earlier by theorists 44,45 ), although the mobilities calculated for such geometries had not matched the experimental pattern well. When excited by a laser beam, all the above features seem to largely convert into peaks with the shortest drift times.…”

Section: Comparison Of Sedi Mobilities With Measurementsmentioning

confidence: 91%

Evaluation of Ionic Mobilities by Coupling the Scattering on Atoms and on Electron Density

et al. 2000

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A recently developed method to calculate gas-phase mobilities by scattering on electron density isosurfaces (SEDI) has been applied to carbon cluster ions. The investigation has covered species belonging to all major structural families identified in drift tube studies (chains, monocyclic and bicyclic rings, graphite sheets, and fullerenes). Relative cross sections of C n -and C n + predicted by SEDI are in excellent agreement with the measurements across a wide range of cluster sizes and shapes. However, absolute values could not be fit for either charge state. This happens because SEDI ignores the long-range ion-buffer gas interaction known to be important for many systems including carbon clusters. To overcome this problem, we propose a new technique to evaluate mobilities by coupling SEDI with trajectory calculations. This approach allows one to introduce the repulsive interaction accurately and still account for the attractive part of the potential. This hybrid SEDI-TC treatment has been found substantially superior to all models previously described in reproducing both absolute and relative mobilities of C n anions and cations.

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Section: Comparison Of Sedi Mobilities With Measurementsmentioning

confidence: 91%

Evaluation of Ionic Mobilities by Coupling the Scattering on Atoms and on Electron Density

et al. 2000

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“…Several isomers are found within the first few electron volts in binding energy: linear chains, monocyclic rings, some bicyclic rings, and "tadpole" structures. A tadpole, as recently described by Scuseria and collaborators [16] and Morokov and collaborators [17], is a monocyclic ring with a small linear chain attached to the ring. According to our tightbinding calculations, the linear part is attached to the ring by a single sp 2 carbon.…”

mentioning

confidence: 99%

Observation of New Ring Isomers for Carbon Cluster Anions

et al. 1998

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High-resolution ion-mobility measurements have resolved a number of isomers for carbon cluster anions in the drift-time region previously assigned to monocyclic rings. Tight-binding calculations have been performed to generate feasible geometries, which were compared to the experimental data by calculating their mobilities. Structures composed of a short chain of carbon atoms attached to a carbon ring are found to be the most plausible geometries for these new isomers. A number of different bicyclic ring isomers have also been resolved for the first time. [S0031-9007 (98)06131-6] PACS numbers: 61.46. + w, 36.40.Wa

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Interactions between cyclic carbon clusters

Cited by 3 publications

References 9 publications

Evaluation of Ionic Mobilities by Coupling the Scattering on Atoms and on Electron Density

Evaluation of Ionic Mobilities by Coupling the Scattering on Atoms and on Electron Density

Observation of New Ring Isomers for Carbon Cluster Anions

Structures and dynamical properties ofCn,Sin,
Lu
¹
,
Wang
²
,
Ho
³

2000
Phys. Rev. B
188
20
140
1
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Interactions between cyclic carbon clusters

Cited by 3 publications

References 9 publications

Evaluation of Ionic Mobilities by Coupling the Scattering on Atoms and on Electron Density

Evaluation of Ionic Mobilities by Coupling the Scattering on Atoms and on Electron Density

Observation of New Ring Isomers for Carbon Cluster Anions

Structures and dynamical properties ofCn,Sin,Lu1, Wang2, Ho3 2000Phys. Rev. B188201401View full textAdd to dashboardCite

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Structures and dynamical properties ofCn,Sin,
Lu
¹
,
Wang
²
,
Ho
³

2000
Phys. Rev. B
188
20
140
1
View full text Add to dashboard Cite