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Pure and mixed molecular clusters of carbon, silicon, and germanium atoms provide an interesting and challenging group of molecular systems to a theorist. Although the fact that such atoms have the same electronic valence structure leads to similarities in the structure of such clusters, the differences make the detailed relative energetics more difficult to predict. Sufficiently high-level theoretical methods thus have to be employed to provide accurate data to be used in conjunction with the analysis of experimental data.

In a number of collaborative studies with the Molecular Physics Laboratory we have studied the structure and infrared spectra of carbon and silicon-carbon clusters as well as other free radicals. This has lead to the identification of a number of new clusters as well as

As part of a U.S. Air Force initiative to develop improved rocket propellants we have also recently performed studies of clusters containing boron and carbon atoms, leading to the identification of a number of new such structures. These studies illustrate the power of close collaborative efforts between experiment and theory.

"Fourier Transform Infrared Spectroscopy of the Vibration of BC₂ in Ar at 10K" (with J. D. Presilla-Márquez, C.W. Larson, and P.G. Carrick), J. Chem. Phys. 105, 3398 (1996).

"Fourier Transform Infrared Observation of the Vibrational Spectrum of the Linear SiCCH Radical in Ar at 10 K" (with Dongsheng Han and W.R.M. Graham), J. Chem. Phys. 106, 6222 (1997).

"Vibrational Spectra of Hexa-Atomic Silicon-Carbon Clusters. I. Linear SiC₄Si" (with J. D. Presilla-Márquez and W.R.M. Graham), J. Chem. Phys. 106, 8367 (1997).

"Detection of Cyclic Carbon Clusters. I Isotopic Study of the n₄ (e') mode of cyclic C₆ in Solid Ar" (with S. L. Wang and W.R.M. Graham), J. Chem. Phys. 107, 6032 (1997).

"Detection of Cyclic Carbon Clusters. II Isotopic Study of the n₁₂(e_u) mode of Cyclic C₈ in Solid Ar" (with S. L. Wang and W.R.M. Graham) J. Chem. Phys. 107, 7025 (1997).

Fourier Transform Infrared Observation of the n₁(s) Mode of Linear SiCH in Ar at 10 K" (with D. S. Han and W.R.M. Graham), J. Chem. Phys. 108, 3504 (1998).


		C. Magnus L. Rittby
	Rittby home Curriculum vitae (PDF) Contact Information Department Home Page College Home Page TCU Home Page my.tcu.edu	Pure and mixed molecular clusters of carbon, silicon, and germanium atoms provide an interesting and challenging group of molecular systems to a theorist. Although the fact that such atoms have the same electronic valence structure leads to similarities in the structure of such clusters, the differences make the detailed relative energetics more difficult to predict. Sufficiently high-level theoretical methods thus have to be employed to provide accurate data to be used in conjunction with the analysis of experimental data. In a number of collaborative studies with the Molecular Physics Laboratory we have studied the structure and infrared spectra of carbon and silicon-carbon clusters as well as other free radicals. This has lead to the identification of a number of new clusters as well as As part of a U.S. Air Force initiative to develop improved rocket propellants we have also recently performed studies of clusters containing boron and carbon atoms, leading to the identification of a number of new such structures. These studies illustrate the power of close collaborative efforts between experiment and theory. "Fourier Transform Infrared Spectroscopy of the Vibration of BC₂ in Ar at 10K" (with J. D. Presilla-Márquez, C.W. Larson, and P.G. Carrick), J. Chem. Phys. 105, 3398 (1996). "Fourier Transform Infrared Observation of the Vibrational Spectrum of the Linear SiCCH Radical in Ar at 10 K" (with Dongsheng Han and W.R.M. Graham), J. Chem. Phys. 106, 6222 (1997). "Vibrational Spectra of Hexa-Atomic Silicon-Carbon Clusters. I. Linear SiC₄Si" (with J. D. Presilla-Márquez and W.R.M. Graham), J. Chem. Phys. 106, 8367 (1997). "Detection of Cyclic Carbon Clusters. I Isotopic Study of the n₄ (e') mode of cyclic C₆ in Solid Ar" (with S. L. Wang and W.R.M. Graham), J. Chem. Phys. 107, 6032 (1997). "Detection of Cyclic Carbon Clusters. II Isotopic Study of the n₁₂(e_u) mode of Cyclic C₈ in Solid Ar" (with S. L. Wang and W.R.M. Graham) J. Chem. Phys. 107, 7025 (1997). Fourier Transform Infrared Observation of the n₁(s) Mode of Linear SiCH in Ar at 10 K" (with D. S. Han and W.R.M. Graham), J. Chem. Phys. 108, 3504 (1998).
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