Infrared Spectroscopic Studies of Carbon Clusters Trapped in Solid Parahydrogen

Momose, Takamasa; Miki, Masaaki; Wakabayashi, Tomonari; Shida, Tadamasa

doi:10.1021/jp961214z

Cited by 27 publications

(32 citation statements)

References 35 publications

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“…We recently reviewed the literature on MIS of trapped atomic impurities in SMH [3], as part of our work on condensed phase reactions of energetic species. We have begun to employ spectroscopic characterization of molecular impurities in SMH, a field showing considerable current activity [4][5][6][7][8][9][10][11][12]. However, certain difficulties in using the SMH as matrix hosts remain to be overcome.…”

Section: Pacs Numbersmentioning

confidence: 99%

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Rapid Vapor Deposition of Millimeters Thick Optically Transparent Solid Parahydrogen Samples for Matrix Isolation Spectroscopy

Fajardo¹,

Tam²

1997

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Section: Pacs Numbersmentioning

confidence: 99%

“…Several advantages of using solid parahydrogen (pH 2 [13]) as a matrix host have been extolled by collaborating groups in Kyoto and Chicago [4,7,8,11,12]. They note the spherical nature of J=0 pH 2 , which is preserved in SMH [1].…”

Section: Pacs Numbersmentioning

confidence: 99%

Rapid Vapor Deposition of Millimeters Thick Optically Transparent Solid Parahydrogen Samples for Matrix Isolation Spectroscopy

Fajardo¹,

Tam²

1997

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“…[1][2][3][4][5] We have been exploiting this matrix to develop high-resolution matrix isolation spectroscopy. [3][4][5][6][7][8][9] So far, we have shown that several monomeric molecules trapped in solid parahydrogen give much sharper infrared absorption spectra than those observed in the conventional matrices. This is attributable to the extreme inertness of the matrix which makes the homogeneous spectral linewidth very narrow and the quantum nature of the solid hydrogen which suppresses the inhomogeneous linewidth caused by multiple trapping sites often formed in the conventional rare gas matrices.…”

Section: Introductionmentioning

confidence: 97%

High-resolution laser spectroscopy of methane clusters trapped in solid parahydrogen

Momose

Katsuki

Hoshina

et al. 1997

The Journal of Chemical Physics

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High-resolution Fourier transform infrared and cw-diode laser cavity ringdown spectroscopy of the ν 2 +2ν 3 band of methane near 7510 cm −1 in slit jet expansions and at room temperature High resolution infrared absorption spectra of methane molecules isolated in solid parahydrogen matrices Clusters of methane are isolated in solid parahydrogen. The vibrational spectral region of the 4 fundamental of methane molecule is surveyed with a Fourier transform infrared spectrometer and a high-resolution difference-frequency infrared laser system. More than 200 sharp absorption lines are discovered whose linewidth is as narrow as 0.007 cm Ϫ1 ͑200 MHz͒. The spectrum indicates that the rovibrational levels of the clusters of small sizes are well quantized in solid parahydrogen. © 1997 American Institute of Physics. ͓S0021-9606͑97͒04843-5͔

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“…Solid para-hydrogen as a host for atomic impurities has been the subject of many recent theoretical [1][2][3][4][5] and experimental studies, [6][7][8][9] in part because such systems might play a role in the development of future cryo-propellants. 10 Experiments have shown that atomic impurities, such as Li, B, and Al, can be metastably trapped in a solid hydrogen matrix.…”

Section: Introductionmentioning

confidence: 99%

Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen

Krumrine

Jang

Alexander

et al. 2000

The Journal of Chemical Physics

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Molecular collective dynamics in solid para-hydrogen and ortho-deuterium: The Parrinello-Rahman-type path integral centroid molecular dynamics approach J. Chem. Phys. 119, 953 (2003); 10.1063/1.1578474Structural dynamics in quantum solids. I. Steady-state spectroscopy of the electronic bubble in solid hydrogens Lithium impurity recombination in solid para-hydrogen: A path integral quantum transition state theory study Using path-integral molecular dynamics, we investigate the equilibrium properties of a boron impurity trapped in solid para-hydrogen. Because of its singly filled 2p orbital, the B atom interacts anisotropically with the pH 2 molecules in the matrix. To assess the effect of this electronic anisotropy, we compare with similar simulations in which an orientation-averaged B-H 2 potential is used. We investigate three matrices: ͑a͒ a single B atom site substituted for a pH 2 molecule, ͑b͒ a similar site-substituted matrix with a nearest-neighbor vacancy, and ͑c͒ a B atom site substituted not in the bulk but near the pH 2 surface. It is found that small distortions of the lattice occur to permit an energetically favorable orientation of the 2p orbital, even in the absence of a vacancy. When the B impurity is located near the surface, the spherically-averaged potential provides a noticeably different description from the case of the anisotropic potential. The 3s←2 p absorption spectra of the B chromophore is also predicted by means of a semiclassical Franck-Condon technique using path integrals to sample the quantum lattice configurations. These spectral simulations provide additional insight into the interpretation of experimental observations of trapped B in a solid pH 2 matrix.

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Infrared Spectroscopic Studies of Carbon Clusters Trapped in Solid Parahydrogen

Cited by 27 publications

References 35 publications

Rapid Vapor Deposition of Millimeters Thick Optically Transparent Solid Parahydrogen Samples for Matrix Isolation Spectroscopy

Rapid Vapor Deposition of Millimeters Thick Optically Transparent Solid Parahydrogen Samples for Matrix Isolation Spectroscopy

High-resolution laser spectroscopy of methane clusters trapped in solid parahydrogen

Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen

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