Spectroscopic Investigations of Vibrational Potential Energy Surfaces and Molecular Structures in Singlet and Triplet Electronic Excited States

单线态和三线态电子激发态振动势能面和分子结构的光谱研究

基本信息

  • 批准号:
    0131935
  • 负责人:
  • 金额:
    --
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Continuing Grant
  • 财政年份:
    2002
  • 资助国家:
    美国
  • 起止时间:
    2002-03-01 至 2007-02-28
  • 项目状态:
    已结题

项目摘要

AbstractProposal : CHE-0131935PI : Laane, J. There has been great interest in potential energy surfaces (PESs) in recent years, particularly in those for electronic excited states, since they can provide a wealth of data on molecular structure, bonding, and photochemical and photophysical processes. However, very few experimental PESs, rigorously determined from vibronic data, have been reported. Several different spectroscopic methods will be used to map the vibronic energy levels for structurally and conformationally important vibrations. The computational methodology for kinetic and potential energy calculations will be applied to determine the PESs of several types of electronic excited states in several different kinds of molecules. For singlet states (generally S1) laser induced fluorescence (LIF) spectroscopy of jet-cooled molecules and ultraviolet absorption spectroscopy will be utilized to establish the vibronic levels while far-infrared and Raman spectra will provide the complementary ground state data. A time of flight mass spectrometer, which allows mass resolution, will be used for ionization detection and resonance enhanced multiphoton ionization (REMPI) studies. This will allow access to non-fluorescing states and to transitions forbidden in one-photon LIF studies. Two-color experiments will be carried out to study higher singlet states. Considerable use will be made of sensitized phosphorescence excitation spectroscopy (SPES) for studying triplet states. Aryl ketones will be thoroughly investigated as these molecules show strong phosphorescence and are thus ideal for SPES studies of triplet states. The triplet and higher singlet states for molecules in the indan family will also be investigated. Several molecules with unusual bonding properties, such as the anomeric effect, will also be studied in ground and excited states in order to ascertain the effect of the electronic transitions on the bonding and structure.Spectroscopic methods using lasers for the absorption of light will be used to study the structures and energies of molecules in both their normal and "excited" forms. The excited forms are produced when electrons are excited by light to attain higher energies. Photochemistry, such as photosynthesis, typically occurs only after molecules have been excited in this manner. The goal of this research is to characterize the excited molecules and to compare them to their normal forms. The results of this work can prove beneficial to a variety of areas based on the interaction of light with molecules, such as the development of solar energy devices or the design of photochemical reactions. Students and postdoctoral research associates will participate in this research and will receive training to prepare them for entry into the scientific/technical workforce.
摘要提案:CHE-0131935 PI:Laane,J. 近年来,人们对势能面(PES)产生了极大的兴趣,特别是在电子激发态的势能面方面,因为它们可以提供关于分子结构、成键以及光化学和光物理过程的丰富数据。然而,很少有实验PES,严格确定从振动数据,已被报道。几种不同的光谱方法将被用来映射结构和构象重要的振动的电子振动能级。 动能和势能计算的计算方法将被应用于确定几种不同类型的分子中的几种类型的电子激发态的PES。 对于单重态(通常为S1),将利用喷射冷却分子的激光诱导荧光(LIF)光谱和紫外吸收光谱来建立电子振动能级,而远红外和拉曼光谱将提供互补的基态数据。 飞行时间质谱仪,它允许质量分辨率,将用于电离检测和共振增强多光子电离(REMPI)的研究。 这将允许进入非荧光状态和单光子LIF研究中禁止的跃迁。 将进行双色实验以研究更高的单重态。 敏化磷光激发光谱学(SPES)将被大量用于研究三重态。芳基酮将被彻底研究,因为这些分子显示出强烈的磷光,因此是理想的SPES研究的三重态。三重态和更高的单重态的茚满家族的分子也将被调查。一些具有特殊键合性质的分子,如异头效应,也将在基态和激发态下进行研究,以确定电子跃迁对键合和结构的影响。利用激光吸收光的光谱方法将用于研究正常和“激发”形式分子的结构和能量。 当电子被光激发以获得更高的能量时,就会产生激发态。 光化学,例如光合作用,通常仅在分子以这种方式被激发后才发生。 这项研究的目的是表征激发的分子,并将它们与它们的正常形式进行比较。这项工作的结果可以证明有益于基于光与分子相互作用的各种领域,例如太阳能设备的开发或光化学反应的设计。学生和博士后研究人员将参加这项研究,并将接受培训,为进入科学/技术劳动力做好准备。

项目成果

期刊论文数量(0)
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Jaan Laane其他文献

Vapor-phase infrared and Raman spectra and <em>ab-initio</em> calculations of the axial and equatorial forms of cyclohexane-d<sub>1</sub> and d<sub>11</sub>
  • DOI:
    10.1016/j.jms.2016.09.011
  • 发表时间:
    2016-11-01
  • 期刊:
  • 影响因子:
  • 作者:
    Hye Jin Chun;Esther J. Ocola;Jaan Laane
  • 通讯作者:
    Jaan Laane
3-Phospholene and 3-phospholene-1-d<sub>1</sub>
  • DOI:
    10.1016/j.cplett.2022.139473
  • 发表时间:
    2022-04-16
  • 期刊:
  • 影响因子:
  • 作者:
    Esther J. Ocola;Jaan Laane
  • 通讯作者:
    Jaan Laane
Gas-phase Raman spectra of hot bands of fundamentals and combinations associated with the torsional vibration of <em>s-trans</em>-1,3-butadiene and its deuterated isotopologues
  • DOI:
    10.1016/j.jms.2011.07.009
  • 发表时间:
    2011-10-01
  • 期刊:
  • 影响因子:
  • 作者:
    Praveenkumar Boopalachandran;Norman C. Craig;Jaan Laane
  • 通讯作者:
    Jaan Laane
The ring-puckering potential energy function and theoretical calculations for silacyclopent-2-ene-d<sub>0</sub> and 1,1-d<sub>2</sub> and the difluoro and dichloro derivatives
  • DOI:
    10.1016/j.jms.2007.01.002
  • 发表时间:
    2007-03-01
  • 期刊:
  • 影响因子:
  • 作者:
    Abdulaziz A. Al-Saadi;Niklas Meinander;Jaan Laane
  • 通讯作者:
    Jaan Laane
Vibrational spectra of methylenecyclopentane, methylenecyclopentane-2,2,5,5-<em>d</em><sub>4</sub> and methylene-<em>d</em><sub>2</sub>-cyclopentane-2,2,5,5-<em>d</em><sub>4</sub>
  • DOI:
    10.1016/0022-2852(71)90153-6
  • 发表时间:
    1971-11-01
  • 期刊:
  • 影响因子:
  • 作者:
    Thomas B. Malloy;Farley Fisher;Jaan Laane;Richard M. Hedges
  • 通讯作者:
    Richard M. Hedges

Jaan Laane的其他文献

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{{ truncateString('Jaan Laane', 18)}}的其他基金

Vibrational Potential Energy Surfaces and Molecular Structures In Electronic Excited States
电子激发态的振动势能面和分子结构
  • 批准号:
    9728809
  • 财政年份:
    1998
  • 资助金额:
    --
  • 项目类别:
    Continuing Grant
Vibrational Potential Energy Surfaces and Molecular Structures in Electronic Excited States
电子激发态的振动势能面和分子结构
  • 批准号:
    9423048
  • 财政年份:
    1995
  • 资助金额:
    --
  • 项目类别:
    Continuing Grant
Vibrational Potential Energy Surfaces in Excited Electronic Singlet and Triplet States
激发电子单重态和三重态的振动势能面
  • 批准号:
    9122109
  • 财政年份:
    1992
  • 资助金额:
    --
  • 项目类别:
    Continuing Grant
Molecular Structure and Vibrational Potential Energy Surfaces in Ground and Excited Electronic States
基态和激发电子态的分子结构和振动势能面
  • 批准号:
    8807544
  • 财政年份:
    1988
  • 资助金额:
    --
  • 项目类别:
    Continuing Grant
Vibrational Potential Energy Surfaces, Raman Difference Spectroscopy, and Other Spectroscopic Studies
振动势能面、拉曼差分光谱和其他光谱研究
  • 批准号:
    8418078
  • 财政年份:
    1985
  • 资助金额:
    --
  • 项目类别:
    Continuing Grant
Raman Difference Spectroscopy, Vibration Potential Energy Surfaces, and Nitrogen Oxides (Chemistry)
拉曼差分光谱、振动势能面和氮氧化物(化学)
  • 批准号:
    8121124
  • 财政年份:
    1982
  • 资助金额:
    --
  • 项目类别:
    Continuing Grant
Utilization of a Mini-Computer For Physical Chemistry Instruction
微型计算机在物理化学教学中的应用
  • 批准号:
    8015932
  • 财政年份:
    1980
  • 资助金额:
    --
  • 项目类别:
    Standard Grant
Conformational Dynamics of Cyclic and Bicyclic Molecules
环状和双环分子的构象动力学
  • 批准号:
    7826027
  • 财政年份:
    1979
  • 资助金额:
    --
  • 项目类别:
    Continuing Grant
An In-Depth Analysis of Conformational Dynamics From Low- Frequency Vibrational Spectroscopy
低频振动光谱对构象动力学的深入分析
  • 批准号:
    7615743
  • 财政年份:
    1977
  • 资助金额:
    --
  • 项目类别:
    Standard Grant

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