Structure, reactivity, and energetics of covalently bound carbon cluster ions, C sub 5 sup + to C sub 11 sup + : Experiment and theory

Journal Article · Thu Aug 10 00:00:00 EDT 1989 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100353a045· OSTI ID:7197189

Radi, P P; Rincon, M E; Hsu, M T; Brodbelt-Lustig, J; Kemper, P; Bowers, M T ^[1]

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1. Univ. of California, Santa Barbara (USA)

Laser ablation from a rotating, translating graphite rod is used to create a broad distribution of internally energized carbon cluster ions C{sub n}{sup +}. These energized clusters are accelerated, size selected by a magnet, and allowed to undergo unimolecular decay in a field-free region. The decay products are mass and energy analyzed by a high-resolution electrostatic analyzer. In this work they are interested in clusters in the range 5 {<=} n {<=} 11. The shapes of the kinetic energy distributions strongly suggest there are no energy barriers along the reaction coordinates. A detailed analysis of the kinetic energy distributions and metastable branching ratios was accomplished using the transition-state switching form of statistical phase space theory. The analysis yielded binding energies for each of the fragmentations observed. In general these are in excellent agreement with the ab initio calculations of Raghavachari and Binkley. It is also unambiguously shown for parent cluster ions with 5 {<=} n {<=} 10 that the observed fragmentation are due to linear clusters decaying to linear products. A cyclic parent ion structure for C{sub 11}{sup +} could not be ruled out. Excellent agreement between experiment and theory is obtained in those cases where more than one product channel is observed.

• OSTI ID: 7197189
• Journal Information: Journal of Physical Chemistry; (USA), Vol. 93:16; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
SOLID CLUSTERS
CARBON
CATALYSTS
DATA ANALYSIS
ENERGY LEVELS
EXPERIMENTAL DATA
MEASURING INSTRUMENTS
MEASURING METHODS
STRUCTURAL CHEMICAL ANALYSIS
DATA
ELEMENTS
INFORMATION
NONMETALS
NUMERICAL DATA
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