基于傅里叶变换红外光谱法CO2气体碳同位素比检测研究

介绍了基于傅里叶变换红外技术检测CO₂气体碳同位素比的新方法, 详细介绍了如何从HITRAN红外数据库中提取气体标准吸收截面; 介绍了基于非线性最小二乘法反演CO₂气体碳同位素比和整套实验装置的组成及实验步骤. 从理论和实验分析两方面讨论了温度和气压变化对δ¹³CO₂值的影响规律. 对于同一CO₂标准气体, 采用FTIR和同位素质谱法两种技术进行了δ¹³CO₂值对比检测, 两种测量技术的平均值差异仅为0.25%. 从实验结果可以看出, FTIR技术可以实现对CO₂气体碳同位素比的检测.     

Frictionless mirror drive for intermediate resolution infrared Fourier transform spectroscopy

A simple and compact parallelogram mirror drive based on flexure pivots suitable for intermediate resolution Fourier transform spectroscopy is presented. The system permits 12 mm of mirror translation with a residual tilt of less than ±0.4 mrad in the horizontal plane and ±0.2 mrad in the vertical plane. A system prototype was built and fully characterized for a Fourier transform spectrometer operating on a stratospheric balloon.     

肉苁蓉醇提物的傅里叶变换红外光谱三级鉴定

采用傅里叶变换红外光谱结合二阶导数谱和二维相关红外光谱的三级鉴定技术对肉苁蓉的不同浓度醇提物药液和相应的药渣由表及里地进行了分析与评价研究.结果表明,用乙醇提取肉苁蓉活性成分的加工过程使苯乙醇苷类等活性物质在红外光谱上得以明显体现,并发现70％乙醇提取物中苯乙醇苷类等物质均高于其他浓度提取物.该技术从整体上揭示了乙醇萃...     

Detection of lethal fake liquors using digitally labelled gas-phase Fourier transform infrared spectroscopy

Fake liquors have caused severe body injuries or even deaths worldwide, rapid detection of such lethal drinks is thus quite necessary. Methanol has been identified as a primary cause of the problem, so methanol monitoring is critical to the detection of fake liquors. The present work provides an effective strategy for rapid detection of different lethal fake liquors. Using gas-phase Fourier transform infrared spectroscopy in a digitally labeled approach, the spectral bands of methanol were extracted by the iterative discrete wavelet transform for classification, which is named as digitally labeled gas-phase Fourier transform infrared spectroscopy. In digitally labeled gas-phase Fourier transform infrared spectroscopy, principal component analysis and least square support vector machine were combined to discriminate problematic samples using the iterative discrete wavelet transform filtered signals. As a result, the method could cleverly extract spectral features of methanol from the alcoholic drinks in the presence of uncontrolled matrix effects. The recognition accuracy was higher than 97.0%, and each measurement was done within 3?min. The results illustrate that the digitally labeled gas-phase Fourier transform infrared spectroscopy method serves well to rapidly discriminate fake liquors as an efficient and promising tool, and could be well extended to detection of any other targeted volatile substance in complicated systems.     

Retrieval algorithm of quantitative analysis of passive Fourier transform infrared （FTRD） remote sensing measurements of chemical gas cloud from measuring the transmissivity by passive remote Fourier transform infrared

Passive Fourier transform infrared （FTIR） remote sensing measurement of chemical gas cloud is a vital technology. It takes an important part in many fields for the detection of released gases. The principle of concentration measurement is based on the Beer-Lambert law. Unlike the active measurement, for the passive remote sensing, in most cases, the difference between the temperature of the gas cloud and the brightness temperature of the background is usually a few kelvins. The gas cloud emission is almost equal to the background emission, thereby the emission of the gas cloud cannot be ignored. The concentration retrieval algorithm is quite different from the active measurement. In this paper, the concentration retrieval algorithm for the passive FTIR remote measurement of gas cloud is presented in detail, which involves radiative transfer model, radiometric calibration, absorption coefficient calculation, et al. The background spectrum has a broad feature, which is a slowly varying function of frequency. In this paper, the background spectrum is fitted with a polynomial by using the Levenberg-Marquardt method which is a kind of nonlinear least squares fitting algorithm. No background spectra are required. Thus, this method allows mobile, real-time and fast measurements of gas clouds.     

红外光谱用于大肠肿瘤诊断的初步研究

探索红外光谱诊断大肠肿瘤性质的可行性。联合使用衰减全反射探头与傅里叶变换红外光谱仪测定新鲜离体大肠18个癌组织和10个良性腺瘤的红外光谱,将两组光谱的峰位及相对峰强等指标进行比较。与良性腺瘤相比,大肠癌的红外光谱具有如下特征:(1)与脂类相关的谱带2 925和1 740cm-1峰强比I2 925/I1 460(p=0.018)和I1 740/I1 460(p=0.009)明显降低,表明癌组织的脂类相对含量降低;(2)与蛋白质相关峰强比值I3 375/I1 460(p=0.012)和I1 550/I1 460(p=0.041)明显升高,表明蛋白质相对含量明显升高;(3)与核酸相关的1 080cm-1处峰位发生明显的蓝移(p=0.039),峰强比I1 080/I1 460明显升高(p=0.036),说明癌组织中核酸相对脂类含量明显增加;(4)谱带1 305cm-1处峰位发生明显的红移(p=0.041),其指认有待进一步研究。初步研究结果表明,傅里叶变换红外光谱分析可能成为一种快速鉴别大肠肿瘤性质的新方法。     

SiO2纳米线簇、C-Si-O纳米球的制备及形貌、红外光谱和光致发光光谱研究

以二茂铁和硅油作为催化剂和原料,利用高温裂解硅油为C,Si,O源,在常压N₂和H₂混合气氛的化学气相沉积管式炉中制备了大量直径为5—40 nm、长数百纳米的非晶SiO₂纳米线簇及粒径为100—300 nm的C-Si-O实心纳米球. 利用透射电子显微镜、扫描电子显微镜对产物形貌进行表征.Fourier红外吸收谱显示出非晶SiO₂所具有的474,802和1100 cm^-1三个特征峰;SiO₂纳米线簇的光致发光光谱具有较强440 nm蓝光发光峰;而C-Si-O（原子数之比为1.13∶1∶2.35）纳米球具有奇特的红绿蓝（625,540,466 nm）三色光致发光谱. 关键词： 2纳米线簇')" href="#">SiO₂纳米线簇 C-Si-O纳米球 高温裂解 Fourier红外谱     

Laser and Fourier transform emission spectroscopy of TaCl

The emission spectrum of TaCl has been recorded at high resolution in the 3000-35 000 cm⁻¹ region using a Fourier transform spectrometer. The bands were observed by microwave excitation of a mixture of TaCl₅ vapor and 3.0 Torr of He. Several TaCl bands have also been recorded using the laser ablation/molecular beam source at the University of New Brunswick. A rotational analysis of a number of bands has been obtained and the majority of the stronger bands have been classified into three groups with different lower state spectroscopic constants. The three lower states have been identified as having Ω″ = 0⁺, Ω″ = 2, and (tentatively) Ω″ = 3. The Ω″ = 0⁺ and Ω″ = 2 states are very close in energy and one of these two states is the ground state of TaCl.     

傅里叶变换红外光谱和近红外傅里叶变换拉曼光谱法无损鉴定中国字画

利用傅里叶变换红外(FTIR)和近红外傅里叶变换拉曼(NIR FT-Raman)光谱法鉴定了中国字画,结果表明：与荧光光谱法相比,根据谱峰的强度和位置可更容易地将真伪字画区别开来。拉曼光谱和红外光谱相互印证,互相补充,在鉴定中具有快速、准确、操作简单、重复性好、不需对样品进行预处理的优点,适于珍贵字画的无损鉴定。     

基于傅里叶变换红外光谱技术测量大气中CO_2的稳定同位素比值

长期监测大气中CO_2及其稳定同位素不仅可以获得CO_2源和汇信息,还可以确定不同排放源对大气中CO_2的贡献.傅里叶变换红外光谱技术是目前大气中痕量气体柱浓度高精度遥测的一种重要方法.本研究基于地基高分辨率傅里叶变换红外光谱仪采集的近红外太阳吸收光谱反演出大气中CO_2的稳定同位素~(13)CO_2和~(12)CO_2.在选择的~(13)CO_2的三个光谱窗口和~(12)CO_2的两个光谱窗口光谱拟合残差都很小,光谱拟合质量高.实验观测期间CO_2同位素~(13)CO_2和~(12)CO_2的反演误差平均值分别为(1.18±0.27)%和(0.89±0.25)%;利用Allan方差计算出观测系统的碳同位素比值δ~(13)C的测量精度为0.041‰.获得了2015年9月18日至2016年9月24日一年内大气中碳同位素比值δ~(13)C的长时间序列.结果表明,在整个测量期间δ~(13)C在-7.58‰--11.66‰范围内变化,平均值为(-9.5±0.57)‰;δ~(13)C有着明显的季节变化,冬季最小,夏季最大.分析了取暖导致的化石燃料燃烧排放增多是冬季大气中CO_2重同位素~(13)CO_2贫化的原因.观测结果显示了高分辨率傅里叶变换红外光谱仪具有准确和高精度观测大气中CO_2的稳定同位素和同位素比值δ~(13)C的能力.     

镰刀菌的傅里叶变换红外光谱鉴别

傅里叶变换红外光谱结合多元统计方法应用于微生物的快速鉴定及分类是近几年发展起来的一门新型技术。文章用傅里叶变换红外光谱研究了镰刀菌属五种6株镰刀菌。在获得分辨率高、重现性好的镰刀菌全细胞组分的红外谱图基础上,分析了主要吸收峰的归属,确定了镰刀菌红外谱图3 000～2 800 cm-1,1 800～1 600 cm-1与指纹区3个分析灵敏区。根据分析灵敏区的差异性区分了不同种的镰刀菌,并在此基础上进行了系统聚类分析并对镰刀菌种间进化亲缘关系进行了比较。结果表明,可根据光谱峰位、峰值及吸收强度比鉴别镰刀菌,而系统聚类分析方法能更科学合理地鉴别镰刀菌及呈现种间相似性程度,但不适合反映镰刀菌遗传亲缘关系。傅里叶变换红外光谱技术所具有快速、精确,易操作等优点是必将成为微生物研究领域的一个重要工具。     

中波红外微型静态傅里叶变换光谱仪的设计与分析

提出一种基于微光学元件的空间调制微型傅里叶变换红外光谱仪,通过引入红外微结构衍射光学元件、多级微反射镜和微透镜阵列,实现仪器的微型化.介绍了微型傅里叶变换红外光谱仪的结构及基本原理,分析了微型准直系统和聚焦耦合光学系统的设计理论,研究了单片折衍混合准直透镜的残存像差、衍射面的衍射效率、多级微反射镜的衍射、微透镜阵列的孔径衍射和中继系统的轴向装配误差对光谱复原的影响.最后,对中波红外微型傅里叶变换光谱仪进行了建模仿真,得到的复原光谱与理想的光谱曲线比较符合,实际的光谱复原误差为2.89%.该中波红外微型静态傅里叶变换光谱仪无可动部件,且采用了微光学元件取代了传统的红外镜头,不仅稳定性良好,而且体积小、重量轻,有利于在线监测应用.     

食用菌的傅里叶变换红外光谱鉴别

利用傅里叶变换红外光谱法(FTIR)研究了担子菌木耳目、非褶菌目和伞菌目6个科9个属的10种食用菌的子实体。将光谱分为5个区S1区(3 050～2 800 cm-1),S2区(1 750～1 500 cm-1),S3区(1 500～1 200 cm-1),S4区(1 200～950 cm-1),S5区(950～700 cm-1);在5个区中,强峰出现在S4区的1 080 cm-1附近和1 040 cm-1(1 020 cm-1)附近,以及S2区的1 640 cm-1附近,1 640 cm-1附近的峰为酰胺Ⅰ振动峰,前两峰为糖类振动峰。根据5个区光谱峰值和吸收强度比,可以鉴别不同的食用菌。700～950 cm-1范围有可能作为区分不同属蘑菇间的指纹区。     

氟化类金刚石薄膜的拉曼和红外光谱结构研究

关键词：     

基于MODTRAN模型使用被动傅里叶变换红外光谱技术对生物气溶胶的探测研究

利用MODTRAN模型在水平低仰角探测模式下,对生物气溶胶探测的问题进行了分析讨论.用傅里叶变换红外(FTIR)光谱技术对生物气溶胶进行探测研究.首先介绍了MODTRAN模型的大气模式和廓线,根据FTIR光谱技术对生物气溶胶的被动探测要求,利用辐射传输理论和最简单的三层模型,仿真计算得到大气背景和目标生物气溶胶之间的辐射亮度差?L,然后对?L进一步差值得到信号?2Lt,同时再结合光谱仪自身的噪声等效辐射亮度值,得到实际情况下的信号值?2Lt;最后根据探测条件和MODTRAN提供的大气模式,使用被动遥测红外光谱方法预测每种大气模式下生物气溶胶的探测限浓度.每种大气模式下探测限浓度的不同,是因为边界层温度、透过率和背景辐射亮度的不同所导致,同时还与生物气溶胶的吸收系数有关.研究表明,FTIR光谱被动遥测技术能够探测到生物气溶胶的存在,进一步说明探测生物气溶胶的可行性,也为生物气溶胶实际探测提供了一种方法.     

Emission Fourier transform spectroscopy for the remote sensing of the atmosphere

Fourier transform spectrometers (FTS), thanks to their intrinsic advantages of high throughput, high spectral resolution and multiplex acquisition of spectral channels, offer a powerful tool for the characterisation of the Earth's atmosphere. The use of photon noise limited detectors in FTS instruments operating in the middle/far infrared spectral region permits high sensitivity emission spectroscopy measurements, without the limitations arising from the use of an external radiation source. The wide operating spectral range of FTS instruments makes possible simultaneous detection of different atmospheric chemical species that show rotational and vibrational spectral bands in the middle/far infrared region.Spatially resolved measurements of the concentration of the interesting species are of fundamental interest in the study of local phenomena in atmospheric chemistry and physics, and can be obtained through the use of various observation and data inversion techniques. Among these, the best results in terms of vertical resolution are achieved through the limb sounding observation technique from airborne platform.As an example of possibilities offered by the above considered technique, results obtained from the SAFIRE-A (Spectroscopy of the Atmosphere using Far InfraRed Emission-Airborne) during the Antarctic campaign APE-GAIA (Airborne Polar Experiment-Geophysica Aircraft In Antarctica, Ushuaia, Argentina, September–October, 1999) are presented.     

Fourier transform spectroscopy of new emission systems of NbN in the visible region

The emission spectrum of NbN has been reinvestigated in the 8000-35 000  cm⁻¹ region using a Fourier transform spectrometer and two groups of new bands were observed. The bands observed in the 18 000-20 000 cm⁻¹ region have been assigned to a new ³Π-X³Δ transition. Three bands with R heads near 19 463.8, 19 659.0 and 19 757.0 cm⁻¹ have been assigned as 0-0 bands of the ³Π₂-X³Δ₃, ³Π₁-X³Δ₂ and ³Π_0±-X³Δ₁ subbands, respectively, of this new transition. Three additional ΔΩ = 0 bands have been observed in the 24 000-26 000  cm⁻¹ region. A 0-0 band with an R head near 25 409.9 cm⁻¹ has been assigned as a ΔΩ = 0 transition having X³Δ₂ as its lower state while two additional bands with heads near 25 518.7 and 25 534.8 cm⁻¹ were found to be ΔΩ = 0 bands having X³Δ₁ as the common lower state. Two of these three bands are perhaps subbands of a ³Δ-X³Δ transition. Most of the excited levels are affected by perturbations.     

傅里叶变换条纹位相分析技术中移频消去载频法对位相分析的影响

在理论上分析了傅里叶变换位相分析技术中的移频消去载频法,由于采样的离散化,不同的条纹周期对位相分析将产生不同的影响。利用计算机仿真,模拟了不同周期的条纹图以及形变条纹图,根据傅里叶变换频移法,获得了不同周期条纹图的位相分布及误差,同时与"减基准条纹法"获得的位相分布及误差进行比较,验证了不同条纹周期对位相分析产生的影响。以花瓶为目标物体,在实验中进一步验证了采样的离散化对位相分析带来的误差和影响。并且讨论了两种减弱这种误差的方法。     

Fourier transform emission spectroscopy of YbO in the near-infrared region

The emission spectrum of gas-phase YbO has been investigated using a Fourier transform spectrometer. Chemiluminescence was observed from excited YbO molecules produced in a Broida-type oven by the reaction of ytterbium metal vapor with N₂O. A total of eight red-degraded bands in the range 9800-11 300 cm⁻¹ were recorded at a resolution of 0.04 cm⁻¹. Because of the multiple isotopomers present in the spectra, only three bands were rotationally analyzed. Perturbations were identified in two of these bands and all three transitions were found to terminate at the X1Σ+ ground electronic state. The electronic configurations that give rise to the observed states are discussed and molecular parameters for all of the analyzed bands are reported.     

利用傅里叶变换红外光谱法鉴别菊花中硫磺残留

利用傅里叶变换(FTIR)红外光谱法对不同加工方法的祁菊花和大怀菊进行了快速鉴别分析。结果表明,不同加工方法可能会导致菊花内部某些有效成分间相对含量有所变化,某些化学结构或许有所改变,反映在FTIR谱图上就有所差异。经过硫磺熏制后晾干的菊花,在1 600,1 060 cm-1波数附近其吸收峰的形状和强度与其他样品不同,在922,818,777 cm-1三处有固定的特征吸收,而且吸收强度相对较强;不同加工方法和不同品种的菊花在FTIR谱图上都有差异。因此,利用FTIR光谱法不需要对样品进行分离提取,不仅能够快速、准确、方便、直观地鉴别菊花是否有硫残留,同时还能鉴别不同品种的菊花。