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Picosecond time-resolved infrared absorption study on the electron-molecular vibration interactions of the dimers in the electronically excited states

电子激发态二聚体电子-分子振动相互作用的皮秒时间分辨红外吸收研究

基本信息

批准号：
16550007
负责人：
SAKAMOTO Akira
金额：
$ 2.37万
依托单位：
Saitama University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
2004
资助国家：
日本
起止时间：
2004 至 2005
项目状态：
已结题

项目摘要

1.Construction of a picosecond time-resolved infrared absorption spectrometer with time resolution of 【approximately equal】 3 ps and spectral resolution of 【approximately equal】 4 cm^<-1>.The fundamental output (wavelength 775 nm, pulse width 【approximately equal】 2.1 ps, repetition rate 1 kHz) from a picosecond Ti : sapphire regenerative amplifier seeded by the second harmonic of a mode-locked Er-doped fiber laser (Clark-MXR CPA-2000) was used to excite an optical parametric generator and amplifier (Quantronix TOPAS). Widely tunable picosecond light pulses in the 2500 nm - 11 μm (4000 - 900 cm^<-1>) range were obtained by difference-frequency generation in an AgGaS_2 crystal between the signal and idler waves from the optical parametric generator and amplifier. The wavenumber bandwidth of the tunable infrared light pulses was 【approximately equal】 16 cm^<-1>. We achieved the spectral resolution of 【approximately equal】 4 cm^<-1> by using a dispersive spectrometer.2.Syntheses of some d … More imer molecules and measurements of picosecond time-resolved infrared absorption spectra of their excited states.We synthesized some dimer molecules and measured the picosecond time-resolved infrared absorption spectra of them in the electronically excited states. Optimizations of molecular structures and vibrational analyses for the excited states of dimer molecules were performed based on molecular orbital calculations. The electron-molecular vibration interactions will be discussed.3.Infrared absorption measurements of π-conjugated radical anions and dianions in solution and spectral analyses based on density functional theory calculations.High-quality infrared spectra were observed for the radical anions and dianions of naphthalene, anthracene, biphenyl, and p-phenyl in tetrahydrofuran solutions. Observed infrared spectra were in good agreement with those calculated by density functional theory. The origin of the strong infrared absorption intensities characteristic of the radical anions and dianions were discussed in terms of changes in electronic structures induced by specific normal vibrations (electron-molecular vibration interaction). Less

1.构建皮秒时间分辨红外吸收光谱仪，其时间分辨率为[约等于] 3 ps，光谱分辨率为[约等于] 4 cm 2<-1>。（波长775 nm，脉冲宽度[约等于] 2.1 ps，重复率1 kHz）从皮秒Ti：蓝宝石再生放大器由锁模掺铒光纤激光器（Clark-MXR CPA-2000）的二次谐波作为种子，用于激励光学参量发生器和放大器（Quantronix TOPAS）。利用<-1>光学参量发生器和放大器产生的信号光和闲频光在AgGaS_2晶体中产生差频，获得了2500 nm - 11 μm（4000 - 900 cm ~ 2）宽调谐皮秒光脉冲。可调谐红外光脉冲的波数带宽为[约等于] 16 cm 2<-1>。我们用色散光谱仪获得了[约等于] 4 cm ↑ [2]的光谱分辨率<-1>。 ...更多信息合成了几种二聚体分子，测量了它们的电子激发态的皮秒时间分辨红外吸收光谱。基于分子轨道计算，对二聚体分子的激发态进行了振动分析和结构优化。3.溶液中π共轭自由基阴离子和二价阴离子的红外吸收测量和光谱分析基于密度泛函理论计算，观察到萘、蒽、联苯和对苯基的自由基阴离子和二价阴离子在四氢呋喃溶液中的高质量红外光谱。红外光谱的观测结果与密度泛函理论的计算结果符合得很好。讨论了自由基阴离子和二价阴离子的强红外吸收强度特征的起源，在特定的正常振动（电子-分子振动相互作用）引起的电子结构的变化。少