The rotational spectrum of epifluorohydrin measured by chirped-pulse Fourier transform microwave spectroscopy

The rotational spectrum of epifluorohydrin measured by chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy is presented. A new CP-FTMW spectrometer capable of measuring the entire 7.5-18.5 GHz spectrum with a single polarizing pulse is described briefly. The CP-FTMW spectrometer takes advantage of recent advances in digital electronics by utilizing a 4.2 GS/s arbitrary waveform generator as a frequency source and a 12 GHz digital oscilloscope to digitize the down converted molecular free induction decay (FID). Signal averaging in the time domain is used to increase the signal-to-noise ratio. The rotational constants of three unique conformers of epifluorohydrin were measured, as well as the rotational constants of the three unique ¹³C isotopomers and the ¹⁸O isotopomer (in natural abundance) of the most stable conformer. The rotational constants of the two less stable conformers differ significantly from those previously reported [F.G. Fujiwara, J.L. Painter, H. Kim, J. Mol. Struct. 41 (1977) 169-175]. Ab initio calculations were performed for all three conformations and are compared to experimental values.     

Room temperature chirped-pulse Fourier transform microwave spectroscopy of anisole

The room-temperature rotational spectrum of anisole from 8.7 to 18.3 GHz was collected with a waveguide-based chirped-pulse Fourier transform microwave spectrometer whose operating principles are described. Three spectra were assigned, corresponding to the vibrational ground state and the first and second excited states of the lowest frequency torsional mode. Results for the ground state and first excited state are in agreement with prior millimeter wave studies of this molecule. Microwave–microwave double resonance measurements also confirm these assignments.     

低GWP的HCFCs替代制冷剂的可行性研究

阐述了目前HCFCs替代的形势、替代制冷剂和替代技术路线。从各个方面介绍了几种有潜力的单一替代制冷剂R32、R161、R1234yf和R1234ze等。并对将来替代制冷剂的发展进行分析,认为混合制冷剂是大势所趋。     

Chirped pulse Fourier transform microwave spectroscopy of 1,1,2,2-tetrafluoro-3-iodopropane

The pure rotational spectra of the two lowest energy conformers of 1,1,2,2-tetrafluoro-3-iodopropane have been investigated between the frequency limits of 7.5 and 16 GHz using chirped pulse Fourier transform microwave spectroscopy. Quantum chemical calculations have been performed to aid the spectral analyses. For the trans–trans conformer, which is calculated to be the lowest in energy, a total of 135 transitions were recorded. For the gauche–gauche conformer a total of 286 transitions were recorded. In both cases the complete iodine nuclear quadrupole coupling tensor has been determined.     

啁啾脉冲对氢分子离子解离动力学的影响

本文通过数值求解一维含时薛定谔方程,理论研究了超短啁啾脉冲（5-fs,790-nm）对处于低振动态氢分子离子解离动力学的影响. 研究过程中有效利用流算符的方法得到不同激光强度下的解离几率及核波包密度分布. 结果表明：低强度的啁啾脉冲可显著增强低振动态氢分子离子的解离过程,使解离过程提前发生并在较短的时间内获得较多的解离产物, 并给出相应的理论解释.     

To measure chirped ultrashort laser pulse by the Talbot effect of a grating

We study the Fresnel diffraction of a phase grating under the illumination of a chirped femtosecond laser pulse. Using spatial spectrum theory, first we extract the central wavelength signal from the diffraction wave of the chirped pulse through a diaphragm. Then the central wavelength waves are directed to interfere in remote regions by two reflectors. The interference stripes at different distance will be exactly the same in interference region. Since the intensity distribution of the stripes is related to the chirp parameter of the femtosecond pulse, through measuring the stripe intensity distribution, we can indirectly detect the chirp parameter of the femtosecond pulse.     

基于傅里叶变换模式的啁啾脉冲频域—时域相移转换的研究

基于频谱干涉原理和傅里叶变换的模式对啁啾脉冲频域相移转换为脉冲瞬态时域相移的基本原理进行了理论研究;推导出频域—时域相移转换过程中的相移误差传递公式;给出啁啾脉冲时域相移的最小时间分辨受制于参考脉冲的频谱宽度.对相移转换过程进行了数值模拟和分析,结果显示：通过该方法可以得到具有瞬态特性的时域相移,且频域相移误差是以被缩小的形式转换到时域的,与相移误差传递公式计算的结果具有较好的一致性. 关键词： 频谱干涉 频域相移 啁啾脉冲 时域相移     

啁啾高斯脉冲光束在正色散介质中的自聚焦特性

 采用分步法结合Hankel变换对修正薛定谔方程进行数值求解,通过数值计算对飞秒脉冲在非线性正色散介质中的自聚焦特性进行了简要分析。在此基础上,针对啁啾脉冲放大系统(CPA)中的啁啾高斯脉冲,对其全光束自聚焦特性进行了计算模拟和分析讨论。研究结果表明,群速度色散(GVD)对大啁啾脉冲的影响很小,谱宽对自聚集的影响可以忽略。因此,具有大啁啾的脉冲在非线性正色散介质中的自聚焦特性不同于飞秒脉冲,而与纳秒脉冲相似。     

A theoretical study about the chirped pulse amplification laser

Starting from the Maxwell‘s equation,and using the resonant-dipole equation together with the multilevel rate equations which take the effects of energy relaxation into consideration,we have derived a more realistic numerical model of the chirped pulse amplification for an ultra-broad band width laser amplifier.Numerical simulations of this model show that both the intensity profile and the energy fluence of the amplified chirped pulse are closely connected with the two relaxation effects:the relaxation of the thermalization among the components of the laser multiplets and the depletion of the lower laser level.The results are valuable for the design of ultra-broad bandwidth chirped pulse amplification lasers.     

The microwave spectrum of cyanophosphaacetylene, H2PCCCN

The a type transitions of the microwave rotational spectra of cyanophosphaacetylene, H₂PCCCN, have been investigated in the frequency region between 5 and 26.5 GHz by Fourier transformation microwave (FTMW) spectroscopy. Rotational, centrifugal distortion and ¹⁴N nuclear quadrupole coupling constants have been determined. Density functional theory level ab initio calculations were performed to predict the molecular constants, and the predicted values are in good agreement with our experimentally determined results. The ¹³C and ¹⁵N isotopomer transitions were also observed. The derived r₀ structure is quite comparable to the calculated H₂PCCCN equilibrium geometry.     

提升啁啾脉冲激光信噪比的扫描滤波方法

基于扫描滤波原理, 提出了一种新的用以提升啁啾脉冲激光信噪比(signal-to-noise, SNR)的光学扫描滤波方法. 针对内置电光晶体的Fabry-Perot标准具的扫描滤波方案, 定量分析了其扫描滤波谱特性, 详细讨论了Fabry-Perot标准具平行平板的镜面反射率和内置电光晶体类型对输出脉冲信噪比的影响, 并进一步探讨了控制电压变化对信噪比提升效果的影响. 结果表明, 扫描滤波器的透射窗口带宽越窄, 信噪比的提升效果越好; 为了保证输出效果, Fabry-Perot标准具平行平板反射率应大于0.9; 对于内置二次电光晶体钽铌酸钾晶体的Fabry-Perot标准具扫描滤波方案, 其外加电压较内置普通线性电光晶体的方案更低, 且更易于控制; 钽铌酸钾晶体构成组分的不同对滤波器效果的影响并不大, 而控制电压和信号光啁啾率的变化则会对滤波效果产生较大影响.     

Spectroscopic constants of the ground and lower vibrational states of CH2BrF: A combined high resolution infrared and microwave study

The enriched ⁸¹Br isotopic species of bromofluoromethane has been investigated in the infrared and microwave regions. The rovibrational spectrum of the ν₅ fundamental has been studied by high resolution FTIR spectroscopy, while the rotational spectra of the ground and v₆ = 1 states have been observed by means of microwave spectroscopy. More than 2700 transitions have been assigned in the ν₅ band and the analysis of the rovibrational structure reveals a first-order c-type Coriolis resonance with the v₆ = 2 state. The present study improves the ground state constants available in the literature and enables the determination of further centrifugal distortion parameters together with the full bromine quadrupole coupling tensor. A set of spectroscopic parameters up to the sextic distortion terms for the vibrational excited states has been accurately evaluated for the first time.     

A combined ab initio, Fourier transform microwave and Fourier transform infrared spectroscopic investigation of β-propiolactone: The ν8 and ν12 bands

The pure rotational spectrum of β-propiolactone (c-C₂H₄COO) has been recorded between 7 and 21 GHz using a pulsed jet Fourier transform microwave spectrometer. The resulting ground state spectroscopic constants guided the analysis of the rotationally-resolved infrared spectra of two bands that were collected using the far infrared beamline at the Canadian Light Source synchrotron. The observed modes correspond to motions best described as ring deformation (ν₁₂) at 747.2 cm⁻¹ and CO ring stretching (ν₈) at 1095.4 cm⁻¹. A global fit of 4430 a- and b-type transitions from the microwave spectrum and the two infrared bands provided an accurate set of ground state and excited state spectroscopic parameters. To complement the experimental results, the harmonic and anharmonic vibrational frequencies of all 21 infrared active modes of β-propiolactone have been calculated using the DFT B3LYP method (6-311+G(d,p), 6-311++G(2d,3p) basis sets).     

A study on the best irradiation dose of X-ray for Hep-2 cells by Fourier transform infrared spectroscopy

Fourier transform infrared spectroscopy (FTIR) was employed to study the human epidermis larynx carcinoma cell lines (Hep-2) which were irradiated by different doses of X-ray.The results show that (1) the irradiation of X-ray damages the structure of the CH3 groups of the thymine in DNA,which restrains the reproduction of Hep-2 cells effectively,(2) the 8 Gy dose of X-ray irradiation changes the framework and the relative contents of some proteins,lipids and the nucleic acid molecules intercellular in the greatest degree,and (3) the 8 Gy dose of X-ray irradiation is the best irradiation dose for lowering the degree of the cancerization of Hep-2 cells according to the criteria for the degree of the cancerization reported recently.Meanwhile,the apoptosis of these cells were detected by using flow cytometry (FCM) primarily.It shows that the apoptotic ratio of the Hep-2 cells depends on the irradiation dose to some extent,but is not linearly.And the apoptotic ratio of the 12 Gy dose group is the maximum (20.36%),but the apoptotic ratios of the 2 to 8 Gy dose groups change little.     

A Fourier transform infrared (FTIR) and thermogravimetric analysis (TGA) study of oleate adsorbed on magnetite nano-particle surface

Magnetite nano-particles were coated with sodium oleate and the spectral behaviour of the coating layer was studied by FTIR spectroscopy after the particles had been heated in air and argon. Magnetite was synthesized by controlled co-precipitation and subsequently coated with sodium oleate. Thermal analysis in combination with mass spectroscopy was carried out to support the FTIR spectroscopic interpretations, but also to monitor the decomposition and surface reaction of oleate adsorbed on the magnetite surface. It was deduced from FTIR and TGA results that the oleate molecules are bonded to iron atoms by a bidentate mononuclear complex and form essentially a single layer with a distance between oleate molecules of ∼36 Å². It was shown by IR as well as Raman spectroscopy that oleic acid, when heated in air, undergoes decomposition implying that new carbon-oxygen bonds are formed. Heating the iron oxide-oleate system in air also implies oxidation of the double bond at the C:9 position of the alkyl chain and formation of intermediate oxygen-rich molecules. An enthalpy change of ΔH = 49.86 J/g was obtained for oleate desorption/decomposition at ∼350 °C under argon atmosphere and a carbonaceous graphitic species resulted from this decomposition.     

矩形激光脉冲辐照下金属板材料温度分布研究

从光子与声子相互作用机理出发,导出金属材料能量吸收速率.利用格林函数和有限积分变换法求出有热源情况下的热传导方程的解析解,讨论了材料性质、板厚度对板内温度分布的影响.结果表明:矩形激光脉冲辐照下金属板材料温度分布具有波动特征,板厚度和板材料性质对温度波动频率有重要影响. 关键词： 激光辐照 能量吸收速率 温度分布 金属板材料     

A study of the AΠ-XΣ and BΣ-XΣ band systems of scandium monosulfide, ScS, using Fourier transform emission spectroscopy and laser excitation spectroscopy

Emission spectra of the A²Π_3/2-X²Σ⁺ (0, 1), (0, 0), and (1, 0) bands and the B²Σ⁺-X²Σ⁺ (0, 1), (0, 0), (1, 0), (2, 0), and (3, 1) bands of ScS have been recorded in the 10 000-13 500 cm⁻¹ region at a resolution of 0.05 cm⁻¹ using a Fourier transform (FT) spectrometer. The A²Π_r-X²Σ⁺ (1, 0) band as well as the B²Σ⁺-X²Σ⁺ (0, 0) and (1, 0) bands have been recorded at high resolution (±0.001 cm⁻¹) by laser excitation spectroscopy using a supersonic molecular beam source. The FT spectral features range up to N = 148, while those recorded with the laser cover the “low-N” regions. The lines recorded with the laser exhibit splittings due to the ⁴⁵Sc (I = 7/2) magnetic hyperfine interactions, which are large (∼6.65 GHz) in the X²Σ⁺ state and much smaller in the B²Σ⁺ and A²Π states. The energy levels were modeled using a traditional ‘effective’ Hamiltonian approach, and improved spectroscopic constants were extracted and compared with previous determinations and theoretical predictions.     

A complete study of the line intensities of four bands of CO2 around 1.6 and 2.0 μm: A comparison between Fourier transform and diode laser measurements

Atmospheric carbon dioxide is a key specie for the Earth climate. Two spectral windows at 1.6 μm and 2.0 μm are of particular interest for the in situ and remote monitoring of carbon dioxide from satellite, balloon or airborne platforms using infrared absorption spectroscopy. A precise knowledge of the line strengths is a prerequisite for an accurate concentration retrieval. In this paper, we have revisited in the laboratory the (30⁰1)_III←(00⁰0) and (30⁰1)_II ← (00⁰0) bands of CO₂ near 1.6 μm and the (20⁰1)_III ← (00⁰0) and (20⁰1)_II ← (00⁰0) bands near 2.0 μm by implementing both a high-resolution Connes-type Fourier-transform spectrometer and a tunable diode laser spectrometer equipped with several telecommunication-type semiconductor laser devices. Approximately 200 (respectively 18) transitions of CO₂ have been carefully investigated in spectra recorded with the FT spectrometer (respectively with the tunable diode laser spectrometer). The intensity measurements achieved with both instruments are thoroughly compared to previous instrumental determinations, ab-initio calculations and available atmospheric molecular database.