High Resolution Infrared Laser Spectroscopy of Metal-Containing Radicals

Lead Research Organisation: University of York
Department Name: Chemistry

Abstract

We propose to record infrared spectra of small metal-containing polyatomic free radicals using a new laser spectrometer. The very recent availability of a high-power, single frequency source of widely tunable infrared radiation will revolutionise the study of transient metal-containing species. We propose to synthesise these molecules in a metal flow reactor and in a laser vaporisation jet expansion source based on relatively standard techniques. The novelty comes from the ultrasensitive detection of these new free radicals by infrared-optical double resonance spectroscopy and by direct infrared absorption spectroscopy using the cavity ringdown technique. The target molecules are models for the more complex species involved in catalysis and inorganic chemistry. Electronic structure, electron distributions, vibrational frequencies and molecular geometry can all be studied with exquisite precision by high resolution laser spectroscopy and compared with the predictions of quantum chemistry. The quality of quantum chemical predictions will be critically assessed and this will ultimately lead to improved models for more complex systems.

Publications

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Bernath P (2009) Molecular astronomy of cool stars and sub-stellar objects in International Reviews in Physical Chemistry

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Bernath P (2009) Revised molecular constants and term values for the X2? and B2S+ states of OH in Journal of Molecular Spectroscopy

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Bernath PF (2009) Chemistry. Extracting potentials from spectra. in Science (New York, N.Y.)

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Colin R (2010) Revised molecular constants and term values for the X2? state of CH in Journal of Molecular Spectroscopy

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Colin R (2010) Revised molecular constants and term values for the X2? state of CH in Journal of Molecular Spectroscopy

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Li G (2012) High resolution laser excitation spectroscopy of barium monosulfide in Journal of Molecular Spectroscopy

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Li G (2010) Fourier-transform infrared emission spectroscopy of BO in Journal of Molecular Spectroscopy

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Li G (2010) Fourier-transform infrared emission spectroscopy of BO in Journal of Molecular Spectroscopy

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Ram R (2010) High resolution emission spectroscopy of the A2?-X2S+ (red) system of 12C14N in Journal of Molecular Spectroscopy

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Ram R (2010) High resolution emission spectroscopy of the A2?-X2S+ (red) system of 12C14N in Journal of Molecular Spectroscopy