Improved measurements and analysis of the far-infrared spectrum of methanol-D1 (CH2DOH) arising from trans- (e0) to gauche- (e1 & o1) states

In this work the millimeter-wave (MMW) and far infrared (FIR) absorption spectrum for the asymmetrically deuterated Methanol (CH₂DOH) species measured recently at a temperature of −60 °C with better accuracy and signal/noise (S/N) ratio than known before has been assigned for transitions originating at the lowest lying trans- to gauche-states. The entire spectrum for 50–1200 cm⁻¹ has been re-recorded recently using the Synchrotron Radiation Source coupled with the Bruker Fourier Transform Infrared (FTIR) spectrometer with a resolution of about 0.001 cm⁻¹ or better. Complete spectrum has not been exploited a great deal but it helped to entangle overlapping lines in the present work. This also fills the gap remaining in the usual FTIR in the range 400–500 cm⁻¹. Hence it is expected to help the interacting partner for the Coriolis interaction encountered earlier. The assigned transitions mostly for the axial rotational angular momentum quantum number K + 1 ← K, both for R- and Q-sub bands for wide range of rotational angular momentum quantum number. The MMW spectrum has been recalibrated and assigned for a number of Q-branches. The assignments are confirmed rigorously using closed loop residual technique. The assigned ^rR and ^rQ lines have been analyzed in terms of polynomial expansion parameters. The new assignments are presented for about 750 transitions and a grand atlas of more than 1000 lines has been prepared which will be made available through the open source server at “research gate”. The present work should be useful in the area of astrophysical detection and further understanding of the energy relaxation pathways in the molecule.     

New measurements and analysis of the far-infrared spectrum of CH2DOH in the lowest torsional vibrational state (e0)

In this work the far infrared (FIR) absorption spectrum has been measured for the asymmetrically mono deuterated Methanol (CH₂DOH) species in the wavenumber range of 15–1200 cm⁻¹ better accuracy and signal/noise ratio than known before. Assignments have been made for b-type transitions in the lowest lying torsional vibrational state trans-(e₀) for a wide range of rotational angular momentum. The assignments have been rigorously confirmed by the residual loop defect methods. The ^rR–branch wavenumbers are analyzed by the usual state dependent expansion parameters and the Q-Branch origins. These origins have been used to calculate the torsional and torsional-rotation interaction contributions. These findings are in good agreement with predicted from the Hamiltonian model described in recent publications. A large number of assignments have also been made in the millimeter wave spectrum recorded earlier and thereby evaluated the asymmetry splitting parameters for 4 different axial rotational angular momentum quantum numbers. The analysis and interpretation of the spectra are reported. New assignments for about 260 transitions are included the text and a catalog of about 1500 transitions belonging to the e₀ species is prepared (Appendix 1) and is made available through the open server in “Research Gate” and will be freely available to others.     

Study on Infrared Spectral Radiance by Remote Fourier Transform Infrared Spectroscopy

Abstract

Infrared emission spectra emitted by high luminosity infrared pyrotechnics have been observed remotely using the Fourier transform infrared spectroscopy. The primary purpose of the study is to determine infrared spectral radiance distribution, their time—resolved spectra and integrated emission energy. The spectra have been recorded between 4000 – 800cm^?1 region with spectral resolution of 4cm^?1. The study is very important for many applications.     

短瓣金莲花不同提取部位的红外光谱分析

利用红外光谱的宏观指纹特性,对短瓣金莲花不同溶剂提取部位的红外光谱图和二阶导数红外光谱图进行了整体分析.综合分析可知,短瓣金莲花石油醚提取部位主含长链烷烃、脂肪酸或酯类成分,乙酸乙酯提取部位主含长链脂肪酸（酯）及黄酮类化合物,95％乙醇提取部位主含黄酮及黄酮苷类化合物,60％乙醇提取部位主含黄酮苷及多糖类成分,30％乙醇和去离子水提取部位主含多糖类成分.因此,利用红外光谱法可从整体上对中药不同提取部位的主体成分进行直接、快速的分析,为中药提取物的工艺优化及其分析研究提供有价值的参考和方向性指导.     

红外光谱对啤酒酵母培养过程的研究

采用衰减全反射红外光谱技术跟踪了啤酒酵母发酵过程，解析了发酵过程的红外光谱变化。在啤酒酵母培养过程中，1106cm^-1吸收峰强度的下降反映出基质麦芽糖的消耗；而产物乙醇的形成会引起880、2976、2980cm^-1处吸收峰强度增加和1625cm^-1处吸收峰的下降，从上述吸收峰强度的变化可描述啤酒酵母培养的进程。     

Fine structure of far infrared spectrum of ethanol in the lowest OH-torsional vibrational trans-state (e0) of ethanol

In this report the spectroscopic results for far infrared Fourier transform spectrum corresponding to the b-type transitions within the lowest lying trans-substrate (e₀) have been presented. The calculated matrix elements connecting various K-levels suggest that ΔK = 1 transitions within the trans- subs-state should be quite strong but the transitions between the trans state to the gauche states would quite week (practically non-existent). This was also concluded by previous studies using microwave and millimeter wave regions (Pearson et al., 1982; Millar, 1995). The assignments were confirmed by direct observations at the spectrum and the agreement between the observed and calculated spectrum using precise energy levels reported by Pearson et al. (1982). All the strong ^RR and some ^RQ branch lines starting from K = 10 ← 9 through K = 24 ← 23 have been identified. State dependent expansion parameters for all the 15 sub-bands have been presented. These parameters can reproduce the experimental wave numbers within experimental uncertainty. An atlas for about 450 transition lines corresponding to transitions within the e₀ torsional–vibrational species has been prepared. To our knowledge this is the first time the high resolution far infra-red spectral region study for ethanol have been performed.     

傅里叶变换红外光谱曲线的数据转换研究

为将打印纸质的傅里叶变换红外光谱图转化为数字光谱,测试了玉米黄质样品的傅里叶变换红外光谱,在光谱保存为数字光谱的同时也通过打印机打印出光谱曲线。使用扫描仪把打印出纸质的光谱转化为计算机储存的图像,对图像进行旋转调整,图像识别软件把图中的光谱曲线转换为数字光谱。对比从打印光谱中提取的数字光谱和直接保存的数字光谱,发现它们在吸收峰的位置上十分接近,最大偏差为0.85cm^-1,光谱的相关系数达到99.78%。研究表明该方法可以快速准确的把打印光谱图转换为数字光谱,为从老式傅里叶变换红外光谱仪的测试结果中获得数字光谱提供了一种便捷的方法。     

Structure Elucidation of Textile Fabrics by Fourier Transform Infrared Photoacoustic Spectroscopy

A photoacoustic detection system mainly based on a Fourier transform infrared spectrometer has been constructed and some tentative evaluations of its performances have been made. Infrared photoacoustic spectra of cotton and nylon cloths have been obtained without troublesome sample preparations which are necessary in conventional infrared spectrometry. It can be said that the Fourier transform infrared photoacoustic spectroscopy is useful for the structure elucidation of organic polymers.     

Infrared small target enhancement via phase spectrum of Quaternion Fourier Transform

Small target enhancement is one of the crucial stages in infrared small target detection. In this paper, we propose a new method using phase spectrum of Quaternion Fourier Transform to enhance small targets while suppressing backgrounds for infrared images. This is inspired by the property that regularly Gaussian-like shape small targets could be considered as attractively salient signal in infrared images and the location information of such signal is implicitly contained in the phase spectrum from frequency domain. Formally, in the proposed method, we adopt the phase spectrum of Quaternion Fourier Transform instead of using traditional Fourier Transform to enhance the targets since the quaternion provides at most four data channels than only one for the latter, which could be helpful to broad types of background clutters by adding more information. For the construction of the quaternion, we present a second-order directional derivative filter via facet model to compute four second order directional derivative maps from four directions respectively as the four data channels. This filter is used to suppress noises and distinguish the targets and backgrounds into separably different textures so that it would boost the robustness of small target enhancement. In experiments, some typical infrared images with various scenes are tested to validate the effectiveness of the proposed method. The results demonstrate that our method actually has good performance and outperforms several state-of-the-art methods, which can be further used for infrared small target detection and tracking.     

Infrared spectrum involving forbidden transitions & coriolis interaction and identification of optically pumped far infrared laser lines in asymmetrically mono-deuterated methanol (Methanol-D1)

In this paper new type of ΔK = 2 and 0 transitions have been identified in the Fourier Transform spectrum of Methanol-D₁ (CH₂DOH). These transitions are normally forbidden but a “Coriolis” type interaction with nearby states is believed to be contributing sufficient transition strength through intensity borrowing effect. This is the first time such forbidden transitions are reported to be identified in the excited states, in this molecule. The present conjecture is supported by observation of a many strong allowed transitions to upper terminating levels which are seen to be highly perturbed. This conclusion has been reached by comparing calculated energy levels using known molecular parameters (Pearson et al., 2012; Coudert et al., 2014; El Hilali et al., 2011; Quade et al., 1998; Richard Quade, 1998, 1999; Mukhopadhyay, 1997) and the actually observed FIR lines. The upper levels are seen to be upshifted from expected position. A closer look at the calculated energy values seems to indicate a possible interaction between the above states and other proximate torsional–rotational states could occur. The possible candidates for the interacting level manifolds are narrowed down through the presence of the forbidden transition. We also take the opportunity to propose alternate rotational quantum numbers for some of the assignments recently reported in the literature (El Hilali et al., 2011). Some ambiguities are pointed out on the data and the reported analysis. There remain too many such irregularities and we propose to gather a large body assigned transitions in a future catalog. Assignments and relevant comments on optically pumped FIR laser radiation are also made.     

Remote Fourier Transform Infrared Emission Spectroscopy in the Studies of the Solid Propellant Combustions

In this paper infrared emission spectra of the solid propellant combustion using remote Fourier transform spectroscopy have been studied. Both the infrared spectral radiance distributions and gas quantitative method for solid propellant combustions by remote Fourier transform infrared emission spectroscopy have been presented. In the method we utilize estimating temperature measuring models, which are modified by Junde Wang, based on emission fundamental band measurements of HCl or HF. Through measuring the temperature both the infrared spectral radiance distributions of the solid propellant combustions and their emisivities can be obtained. A remote measured gas concentration model based on combustion temperature, spectral radiance and emissivity has been developed. Field single-ended measurements at long distances for solid propellant plumes at temperature 1700—3500K can be extended to measuring fluctuations of instantaneous temperature and combustion reaction products.     

傅里叶变换红外光谱研究鲤鱼雌激素受体与邻苯二甲酸酯的相互作用

通过电泳结合电洗脱(SDS-PAGE)的方法分离纯化鲤鱼体内的雌激素受体,得到高纯度的受体;再通过傅里叶变换红外光谱探讨雌激素受体与邻苯二甲酸二正丁酯(DBP)结合后其结构的变化,通过实验发现,配体DBP能与雌激素受体结合并对雌激素受体的结构产生了明显的影响。     

傅里叶变换红外光谱法研究核辐照对螺旋藻粉成分的影响

采用红外光谱法对经不同剂量核辐照的螺旋藻粉进行了对比研究,比较了它们的红外光谱的异同。螺旋藻粉的红外光谱主要由蛋白吸收带及碳水化合物的吸收带组成,一定辐照剂量处理的螺旋藻粉成分的化学结构并未发生变化,部分成分含量发生了变化。表明辐照可杀灭螺旋藻粉中污染微生物和各种水生寄生虫卵,同时利用红外光谱法可以快速检测螺旋藻粉样品是否经过辐照处理。随着辐照剂量的增加样品某些种类的蛋白质含量随之减少了。这与文献[1]研究得到的结果是一致。螺旋藻粉的红外光谱的特征峰（1654、1452及1240cm-1）与啤酒酵母的蛋白质红外光谱的特征峰位相同及峰形非常相似,表明螺旋藻粉和啤酒酵母中的蛋白质的化学结构可能很相似。     

普洱茶的傅里叶变换红外光谱鉴别研究

利用傅里叶变换红外光谱法研究了云南省思茅地区所产不同等级的普洱生茶和熟茶。结果显示:生普和熟普的红外光谱虽然整体上十分相似,但由于生普和熟普的生产工艺不同,其化学成分的组成比例也各异,因而生普和熟普均具有其各自的特征红外光谱,且不同品质的生普和不同品质的熟普之间,其红外光谱均有明显的差异。根据红外光谱的特征峰形和吸光度比不仅可以区分生普和熟普,而且有可能区分生普或熟普的不同品质级别。傅里叶红外光谱法快速、简便、直观且样品不需要分离提取,适用于普洱茶的级别鉴别。     

红外光谱法在癌症早期诊断中的应用

傅里叶红外光谱法可用于细胞和组织等复杂体系的研究，本文主要综述了近年来傅里叶变换红外光谱法在癌症早期诊断中的应用探索。     

Fourier Transform Infrared Spectroscopy of Aliphatic bis(Amidinohydrazones) and Their Deuterated Analogues

The first study on the infrared spectroscopy of the bis(amidinohydrazones) of various glyoxals is reported. The compounds studied include the antileukemic agents glyoxal bis(amidinohydrazone) and methylglyoxal bis(amidinohydrazone) (Mitoguazone) as well as seven mono-and dialkylglyoxal analogues thereof. Free bases as well as doubly protonated species (divalent salts) were investigated. Selectively deuterated analogues were also studied and were synthesized by exchanging nitrogen-bound hydrogen atoms for deuterium atoms. The effects of substituents, protonation and deuteration on the FT-IR spectra of the compounds are discussed.     

基于连续统快速傅里叶变换的红外光谱处理技术

为实现红外光谱对遥感地物准确的识别,消除高频噪声是光谱特征分析和提取的重要环节。利用光谱连续统处理方法,结合信号时域分析领域快速傅里叶变换提出了一种新的红外光谱滤波方法。该方法首先对红外光谱进行光谱连续统去除,利用快速傅里叶变换将去连续统后光谱转换到频域,设计低通滤波器滤除高频噪声,然后通过快速傅里叶反变换将频域信号转换到时域,最后对信号进行光谱连续统恢复,得到滤除噪声后的红外光谱信号。对比实验表明,连续统快速傅里叶滤波方法比常规的时域滤波方法有更好、更快的滤波效果,解决了传统快速傅里叶红外光谱滤波的吉布斯现象。该方法操作简便、运行速度快捷、滤波效果好,满足了红外光谱地物识别对光谱高质量的要求。     

红外光谱法测定感冒咳嗽颗粒中的蔗糖含量

以感冒咳嗽颗粒为原料,通过傅里叶变换红外光谱仪为检测手段,提出并建立一种简便、快速、不使用任何有机溶剂的蔗糖定量分析方法。准确称取蔗糖对照品,以铁氰化钾作为内标物,通过溴化钾压片制样,配制成标准系列,测定FT IR吸收光谱。选择蔗糖中不受干扰的特征吸收峰羰基峰和铁氰化钾中的特征吸收峰氰基峰,通过蔗糖特征峰吸光度与铁氰化钾特征峰的吸光度的峰高之比与其对应浓度进行线性回归分析,从而获得校准曲线。结果表明,方法的线性范围为0.04—34.56m g/g,其线性回归的相关系数r=0.9932,样品测定回收率为97.8%—101.6%,相对标准偏差小于5%。该方法准确,可靠,适合于其他蔗糖类物质的快速定量分析。     

Remote Measurement of Motorcycle Exhaust Using Fourier Transform Infrared System

Abstract

We have explored the basic theory and quantitative methods for the measurement of motorcycle exhaust using a Fourier transform infrared interferometer system. Remote sensing direct measurements were made and the species carbon monoxide, carbon dioxide, nonmethane paraffinic carbon(CH^x) and unburned additional harmful species in motorcycle exhaust were determined. Typical concentrations observed in absorption for carbon monoxide, carbon dioxide and nonmethane paraffinic carbon were about 1.11%, 1.91%, 0.54% respectively. Furthemore, this paper describes the remote sensing Fourier transform infrared spectrometer system. The system covers the infrared spectral region from 700 to 6000 cin^?1 at a maxim resolution of 0.06 cm^?1 for beamsplitter of gerrniuiirun coated zinc selenide and receiver telescope with zinc selriide leis. For air multipollutant monitoring the analytica1 methods have the potential and become important. The remote measurements usirig the Fourier transform inf raid spectroscopy could become niore practical.     

傅里叶变换红外光谱仪中动镜系统的设计

为提升傅里叶变换红外光谱仪的整体性能,基于立体角镜与平面镜组合的光学结构,设计了一种柔性支撑机构的摆动型动镜机构.建立和分析该机构控制模型,设计了相适应的反馈控制算法.结果表明:该结构具有无摩擦、抗震性好等优点;光学结构能够很好地补偿动镜摆动造成的倾斜与横移误差,保证仪器的重复性与稳定性;通过对控制算法参量的调整,动镜机构的扫描准确度优于98.4%.在4cm-1的光谱分辨率条件下,使用该动镜机构所测得的红外光谱信噪比优于80000:1,能够满足高准确度定量分析的要求.