Tunable Far-IRLaser Spectroscopy of Jet-Cooled Carbon Clusters: the ν
            <sub>2</sub>
            Bending Vibration of C
            <sub>3</sub>

Schmuttenmaer, Charles A.; Cohen, R. C.; Pugliano, N.; Heath, James R.; Cooksy, Andrew L.; Busarow, K. L.; Saykally, Richard J.

doi:10.1126/science.11538082

Cited by 114 publications

(71 citation statements)

References 15 publications

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“…If, however, the dispersion of 13 C is nonstatistical, then the experiment is inconclusive. A nonstatistical result is interprétable as either a large-molecule formation mechanism or as an indicator that the gas-phase mixing of the 13 C and 12 C regions is too slow to compete with the kinetics of carbon condensation.…”

Section: The Carbon-arc Synthesis: Determination Of Initial Reactantsmentioning

confidence: 99%

“…These questions may be addressed through isotopic scrambling experiments. In these experiments, the starting material consists of regions of pure 13 C and regions of natural-abundance 13 C. If the isotopic distribution of a fullerene produced in this arc is statistical, and the 13 C atoms are randomly distributed throughout the CgQ framework, then most likely a small-molecule synthesis is occurring. If, however, the dispersion of 13 C is nonstatistical, then the experiment is inconclusive.…”

Section: The Carbon-arc Synthesis: Determination Of Initial Reactantsmentioning

confidence: 99%

“…In these experiments, the starting material consists of regions of pure 13 C and regions of natural-abundance 13 C. If the isotopic distribution of a fullerene produced in this arc is statistical, and the 13 C atoms are randomly distributed throughout the CgQ framework, then most likely a small-molecule synthesis is occurring. If, however, the dispersion of 13 C is nonstatistical, then the experiment is inconclusive. A nonstatistical result is interprétable as either a large-molecule formation mechanism or as an indicator that the gas-phase mixing of the 13 C and 12 C regions is too slow to compete with the kinetics of carbon condensation.…”

Section: The Carbon-arc Synthesis: Determination Of Initial Reactantsmentioning

confidence: 99%

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Synthesis of C₆₀ from Small Carbon Clusters

Heath

1992

ACS Symposium Series

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A model based on experiment and ab initio theory for the high-yield carbon--arc synthesis of C 60 and other fullerenes is presented. Evidence that is given indicates that the synthesis must start with the smallest units of carbon (atoms, dimers, etc.). The model is then broken into four steps: (1) the growth of carbon chains up to length C 10 from initial reactants present in the carbon vapor, (2) growth from chains into monocyclic rings (C 10 -C 20 ), (3) production and growth of three-dimensional reactive carbon networks (C 21 -C x , x = 30-40), and (4) growth of small fullerene cages via a closed--shell mechanism that exclusively produces C 60 , C 70 , and the higher fullerenes as the stable products.The carbon-arc synthesis of from solid graphite surely represents one of the most phenomenal phase transitions ever discovered. This synthetic technique, developed by Kratschmer, Fostiropoulos, and Huffman (7), has made bulk quantities of and other fullerenes available to the scientific community. This availability has stimulated a tremendous effort directed at characterizing this novel and exciting new class of molecules. One of the most fascinating aspects of the fullerenes, however, is the chemistry of their formation within the carbon arc. The synthesis is amazingly simple, and yet it produces results that are so fantastic and unexpected! The best experimental evidence (more on this later) indicates that the graphite reactant is vaporized in the carbon arc into the smallest units of carbon-atoms and possibly dimers-which then, through a concerted series of reactions, and in a limited range of pressures and temperatures, recombine to produce the spheroidal shells of carbon known as the fullerenes (2).How can this reaction scheme be understood? What are the individual chemical mechanisms that lead to the formation of the fullerenes? What reactive intermediates are produced in the carbon arc? How does the hightemperature chemical environment of the carbon arc produce the low-entropy

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Section: The Carbon-arc Synthesis: Determination Of Initial Reactantsmentioning

confidence: 99%

Section: The Carbon-arc Synthesis: Determination Of Initial Reactantsmentioning

confidence: 99%

Section: The Carbon-arc Synthesis: Determination Of Initial Reactantsmentioning

confidence: 99%

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Synthesis of C₆₀ from Small Carbon Clusters

Heath

1992

ACS Symposium Series

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“…Recently, more extensive ab initio calculations have been carried out by Jensen et al (1992). These authors also considered the intensities of the allowed v-i and 1/3 fundamental bands of 12 C3 and showed that their theoretical transition moments were in keeping with recent experimental observations (Schmuttenmaer et al 1990). …”

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confidence: 78%

The MORBID Method

Jensen¹

1994

International Astronomical Union Colloquium

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I n t r o d u c t i o nThe present communication is concerned with the problem of calculating the rotation-vibration energies and the absorption intensities of a triatomic molecule from the effective nuclear potential energy function and the dipole moment surfaces within the Born-Oppenheimer approximation (Born & Oppenheimer 1927). There are at least two astrophysical applications of such calculations: -Detailed spectra of triatomic molecules can be computed under the conditions prevailing in stellar atmospheres and compared with observed spectra. -Such spectra can also be used for constructing a wavenumber-dependent absorption coefficient which can be employed for opacity calculations as outlined, for example, by J0rgensen & Jensen (1993).In the Born-Oppenheimer approximation (Born k, Oppenheimer 1927), the rovibronic energies of a molecule are calculated in two steps: -In the first step, the nuclei are held fixed in space, and the Schrodinger problem for the electrons (which interact with the "clamped" nuclei and with each other through Coulomb forces) is solved for many different nuclear geometries. The energy eigenvalue obtained in this calculation, taken as a function of the nuclear coordinates (which we denote as R n here), is the Born-Oppenheimer potential energy function V(R"). -The second step is the solution of the Schrodinger equation for the nuclear motion,where T n is the operator representing the kinetic energy of the nuclei, ip n (R n ) is a nuclear wavefunction, and E ne is the corresponding energy eigenvalue.* Guest professor 1992-93. On leave from Physikalisch

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“…Botschwina et al (2014) found a high degree of floppiness for l-C 3 H + but not as high as that of C 3 . In addition, Stein et al (2015) have recently computed that the lowest energy bending mode of l-C 3 H + lies at 125.7 cm −1 , which is about twice that of C 3 (∼63.4 cm −1 , Schmuttenmaer et al 1990). …”

mentioning

confidence: 99%