High Resolution Infrared Laser Spectroscopy of Metal-Containing Radicals

含金属自由基的高分辨率红外激光光谱

• 批准号: EP/F032455/1
• 负责人: Peter Bernath
• 金额: $ 53.61万
• 依托单位: University of York
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2007
• 资助国家: 英国
• 起止时间: 2007 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FF032455%2F1
• 关键词: Resolution; Infrared; Laser; Spectroscopy; Metal

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.

我们建议使用新的激光光谱仪记录含有金属的多原子自由基的红外光谱。最近，可调式红外辐射的高功率单频源的最新可用性将彻底改变对瞬时金属物种的研究。我们建议基于相对标准的技术，将这些分子在金属流动反应器和激光蒸发喷射源中合成。新颖性来自红外双共振光谱对这些新的自由基的超敏化检测，并使用腔度环技术技术进行了直接的红外吸收光谱。目标分子是参与催化和无机化学的更复杂物种的模型。电子结构，电子分布，振动频率和分子几何都可以通过高分辨率激光光谱学精确研究，并与量子化学的预测进行了比较。量子化学预测的质量将进行严格评估，这最终将导致改进的复杂系统的模型。

项目成果

Chemistry. Extracting potentials from spectra.

化学。

• DOI: 10.1126/science.1175751
• 发表时间: 2009
• 期刊: Science (New York, N.Y.)
• 作者: Bernath PF