Spectroscopic Investigations of Reactive Chemical Intermediates

反应性化学中间体的光谱研究

• 批准号: 9974404
• 负责人: Terry Miller
• 金额: --
• 依托单位: Ohio State University Research Foundation -DO NOT USE
• 依托单位国家: 美国
• 项目类别: Continuing grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-08-15 至 2003-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9974404&HistoricalAwards=false
• 关键词: Spectroscopic; Investigations; Reactive; Chemical; Intermediates

In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Terry Miller of Ohio State University will use cavity ringdown spectroscopy (CRDS) and other techniques to investigate and characterize reactive chemical intermediates. Radical intermediates will be cooled using molecular-beam jets, and electronic transitions will be probed in the visible and infrared spectral regions. Calculations will be used to help analyze spectra, which then become a standard against which computational methods can be compared. Specific species to be examined include weakly bound clusters such as Ne2OH and Ne2SH, metal monomethyl radicals and larger alkyl derivatives, highly unsaturated carbon chain molecules, aryl carbenes, phenyl, and phenoxy radicals, alkyl peroxy radicals, and halogen dioxides.Complex chemical reactions that occur in atmospheric, combustion, and organic synthesis processes typically involve transient chemical intermediates, such as free radicals and molecular ions, that determine the overall result of the process. Spectroscopic identification of the intermediates is critical for the practical investigation and monitoring of such reactions. Spectroscopic characterization of the intermediates provides a foundation for the basic understanding of the nature of chemical reactivity. This research involves a multifaceted approach to the spectroscopic detection and characterization of these intermediates and species involving them. Such intermediates play critical roles in a variety of chemical reactions that are important in understanding such diverse phenomena as ozone depletion, lower-atmospheric air pollution, combustion, and astrochemistry.

在这个由化学部实验物理化学计划支持的项目中，俄亥俄州州立大学的Terry米勒将使用光腔衰荡光谱（CRDS）和其他技术来研究和表征活性化学中间体。 自由基中间体将使用分子束射流进行冷却，电子跃迁将在可见光和红外光谱区域进行探测。 计算将用于帮助分析光谱，然后成为计算方法可以比较的标准。 要检查的具体物种包括弱结合簇，如Ne2OH和Ne2SH，金属单甲基自由基和较大的烷基衍生物，高度不饱和碳链分子，芳基卡宾，苯基和苯氧基自由基，烷基过氧自由基和卤素二氧化物。在大气，燃烧和有机合成过程中发生的复杂化学反应通常涉及瞬态化学中间体，例如自由基和分子离子，它们决定了该过程的总体结果。 光谱鉴定的中间体是至关重要的实际调查和监测这类反应。 中间体的光谱表征为基本理解化学反应性的本质提供了基础。 这项研究涉及多方面的方法来光谱检测和表征这些中间体和涉及它们的物种。 这些中间体在各种化学反应中起着关键作用，这些化学反应对于理解臭氧消耗、低层大气污染、燃烧和天体化学等各种现象至关重要。