金属羰基化合物[CpFe(CO)_2]_2与金属氧化物表面作用的傅里叶变换漫反射和光声红外光谱研究

用漫反射红外光谱和光声红外光谱法研究了金属羰基化合物［ＣｐＦｅ（ＣＯ）２］２Ｃｐ＝η５—Ｃ５Ｈ５与酸性、中性和碱性Ａｌ２Ｏ３及ＴｉＯ２的相互作用。结果表明，在Ａｌ２Ｏ３表面生成的衍生物种类及浓度与Ａｌ２Ｏ３的酸碱度明显相关。在酸性Ａｌ２Ｏ３表面，主要存在衍生物［ＣｐＦｅ（ＣＯ）２Ｆｅ—Ｈ—Ｆｅ（ＣＯ）２Ｃｐ］＋及少量的ＣｐＦｅ（ＣＯ）２（—Ｏ—）；在中性Ａｌ２Ｏ３表面存在ＣｐＦｅ（ＣＯ）２（—Ｏ—）及较少的［ＣｐＦｅ（ＣＯ）］４；而在碱性Ａｌ２Ｏ３表面主要衍生物为［ＣｐＦｅ（ＣＯ）］４及少量ＣｐＦｅ（ＣＯ）２（—Ｏ—）。衍生物的相对浓度以酸性Ａｌ２Ｏ３表面最高，碱性Ａｌ２Ｏ３表面最低。在ＴｉＯ２表面，［ＣｐＦｅ（ＣＯ）２］２结构基本未变，在空气中比较稳定，没有观察到衍生物的生成。测定了［ＣｐＦｅ（ＣＯ）２］２及其在ＴｉＯ２表面近红外漫反射光谱，指认了大部分观察到的光谱为羰基振动的合频和倍频，并尝试指认了少数光谱为高级（三级）倍频和多元组频（合频）。     

过渡金属羰基化合物Mn(CO)5Br和Re(CO)5Br结构与动力学的超快光谱

利用超快泵浦探测红外光谱、稳态线性红外光谱和计算化学方法,对过渡金属羰基化合物Mn(CO)₅Br和Re(CO)₅Br的振动和结构动力学进行了研究. 借助羰基的两个伸缩振动峰(处于低频的A₁模式和处于高频的简并E模式)进行了观测. 结果表明,在两个配合物中,A₁和E模式振动峰的振动频率位置及频率差都与中心金属原子对羰基的键级和振动力常数的影响相关. 而A₁模式比E模式的线宽宽一些,部分由于振动寿命的影响. 此外,从瞬态光谱中获得了振动模式依赖的对角非谐性常数,发现在两个羰基化合物中E模式的非谐性总是较小.     

若干具有[（PO4）4Mo6^VO15]^12^-簇骼的化合物的光谱研究

Five novel organic-molybdenum phosphates with [(PO4)4Mo6(V)O15]12- cluster, Na x (H4TETA)3 x (H3O)5 x {Zn[(HPO4)2(PO4)2Mo6O15]2} (2), (H2en)7 x (H3O)4 x {Cu[(HPO4)2(PO4)2Mo6O15]2} x H2O (3), (H3DETA)2 x (H3O)3 x {Co0.5[(HPO4)2(PO4)2Mo6O15]} x H2O (4), [Co(H3TETA)]2{Co0.5[(HPO4)(PO4)3Mo6O15] x 3.5H2O (5) and (H3DETA) x (H3O)4 x {Co1.5 [(HPO4)2(PO4)2Mo6O15]} x 0.5H2O (6), have been synthesized. The relationship between their properties and structures was studied by using FTIR, NIR FT-Raman, UV-Vis DRS and fluorescence etc. In these compounds, every two [(PO4)4Mo6O15] clusters are coordinated by a metal atom to form a {M[(PO4)4Mo6O15]2} dimer. In compound 2, 3 and 4, {M[(PO4)4Mo6O15]2} dimers are hydrogen-bonded by the organic molecules and water molecules to form a three-dimensional expended framework, respectively. In compound 5 and 6, {Co[(PO4)4Mo6O15]2} dimers are coordinated by [Co(H3TETA)] groups and [CoO4] tetrahedra to form a network, respectively. These characteristic vibrational frequencies of the molybdenum phosphates are related to the structure of these compounds. Three characteristic bands in UV-Vis DRS spectra of these compounds have to be attributed to the absorptions of O(d) --> Mo, O(mu) --> Mo and O --> M charge transfer, respectively. These compounds exhibit strong fluorescence emission bands at about 410 nm when excited by 240 nm, which are caused by O(mu) --> Mo charge transfer.     

锰、铁、钴氮杂金属冠醚的红外和紫外光谱研究

本文报导了含铁、钴、锰氮杂金属冠醚及其配体的红外和紫外光谱研究结果。对400－4000cm^-1范围的主要红外吸收谱峰进行了经验归属，并进一步讨论了合成的配体和配合物的特征吸收谱带与其结构的关系。配体IR谱中的v(C=O),v(NH),δ（NH） v(CN),δ（NH）等酮式特征吸收在配合物的IR谱图中基本消失，－1600cm^-1处出现归属于共轭体系C＝N－N＝C骨架伸缩振动的吸收谱带，－1560和－1410cm^-1附近各出现一尖锐的强吸收，他们分别归属于v(C=O)和v(CO)，说明该系列N－烷酰基水杨酰肼配体固态时主要以酮式存在，在溶液中则先异构为烯醇式结构，然后醇羟基再通过去质子化作用使羟氧与金属配合。电子光谱研究结果表明该系列配合物出现苯环及共轭体系的π-π^*或n-π^*的跃迁（－204和220－256nm)、M－L荷移跃迁带（274－350nm)和在配位体场作用下金属原子的d-d跃迁吸收峰（－500nm)。     

超分散剂在莠去津颗粒表面吸附的红外和拉曼光谱学研究

聚羧酸型梳状共聚物超分散剂在农药环保剂型悬浮剂的研究中起着重要的作用,可使其理化稳定件得到明显改善,因此研究聚羧酸型梳状共聚物超分散剂在莠去津颗粒表『疗i的吸附行为具有重要的理论和实际意义.利用傅里叶红外光谱(FTIR)和傅里叶拉曼光谱(FT-Raiman)对超分散剂在莠上津表面的吸附行为进行了光谱学表征,结果表明,氢...     

Advances in Fourier transform infrared (FTIR) spectroscopy of biological tissues

This article reviews some of the recent advances on FTIR spectroscopy in areas related to natural tissues and cell biology. It is an update on our previously published review on the applications of spectroscopic methods employed for the analysis of biological molecules, and summarizes some of the most widely used peak frequencies and their assignments. The aim of this review is to update and consolidate our previously published spectral database, which will help researchers in defining the chemical structure of the biological tissues introducing most of the important peaks present in the natural tissues more precisely and accurately. In spite of applying different methods, there seems to be a considerable similarity in defining the peaks of identical areas of the FTIR spectra. As a result, it is believed that preparing a unique collection of the frequencies encountered in FTIR spectroscopic studies can provide substantial help for future studies. In this article, we have included recent studies that have been reported since previous publication that will be of considerable assistance and added value to those who are focusing their research on defining chemical pathway to the progression of different diseases.     

ATR-FTIR 分析技术在制浆造纸工业中的研究与应用

红外光谱技术在制浆造纸工业的原料分析、浆料检验及纸张检测等方面的应用已取得较大进展,且发挥着重要的作用.但传统的透射红外光谱在分析检测上存在破坏样品结构、制样过程复杂、测定时间较长等缺点,已不能满足现代制浆造纸工业即时检测的需要.为了实现待测样品的在线无损分析,必须有一种快速而非破坏性的红外光谱技术予以辅助.傅里叶变换衰减全反射红外光谱(ATR-FTIR)分析技术作为一项新的无损检测技术,能够迅速、准确地埘制浆造纸各生产工段的产品进行全面无损评价,目前已开始介入制浆造纸领域的相关科学研究中.并较为详细地介绍了现阶段 ATR-FTIR 分析技术在制浆造纸工业各生产工段的研究与应用进展.     

基于傅里叶变换红外光谱和聚类分析的真菌鉴别

傅里叶变换衰减全反射红外光谱法(FTIR-ATR)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。该文应用FTIR-ATR光谱法与聚类分析方法相结合对重要的植物病原真菌进行鉴别。在PDA玻璃纸平板上培养了来自14个属的17株真菌,用FTIR-ATR光谱法测其红外光谱,获得了分辨率高、重现性好的真菌红外谱图,分析主要吸收峰的归属,确定了1800～1485,1485～1185与1185～900cm-1三个分析灵敏区,并在此基础上进行了系统聚类分析,使所有测试菌株都得到正确归类。结果表明,傅里叶变换红外光谱技术具有快速、准确、易操作等优点,将成为微生物研究领域的一个重要工具。     

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.     

Fourier transform infrared spectroscopy (FTIR) application chemical characterization of enamel,dentin and bone

Fourier transform infrared spectroscopy (FTIR) has been used extensively for chemical characterization of mineralized tissues in the past few decades. FTIR is an ideal technique to analyze chemical structural properties of natural materials, since the frequencies of several vibrational modes of organic and inorganic molecules are active in the infrared. This review discusses the use of FTIR methodology, highlighting the attenuated total reflection (ATR) sampling mode, particularly for characterization of enamel, dentin and bone tissues. Enamel, dentin and bone, are composed of an organic and a mineral phase. The mineral phase is characterized essentially as nonstoichiometric substituted apatite, being the carbonate and phosphate spectral peaks the main representative of these phase. Organic matrix of the post-eruptive enamel is small (～1% weight (wt)). The dentin and bone organic phases are mainly composed of type I collagen that appears as spectral bands of amide I, amide II, amide III bands. Furthermore, synthetic apatite materials are being designed for total or partial replacement, restoration or augmentation of these biological tissues with FTIR assistance.     

Characterization of 4H-SiC substrates and epilayers by Fourier transform infrared reflectance spectroscopy

The infrared reflectance spectra of both 4H–SiC substrates and epilayers are measured in a wave number range from 400 cm 1 to 4000 cm 1 using a Fourier-transform spectrometer. The thicknesses of the 4H–SiC epilayers and the electrical properties, including the free-carrier concentrations and the mobilities of both the 4H–SiC substrates and the epilayers, are characterized through full line-shape fitting analyses. The correlations of the theoretical spectral profiles with the 4H–SiC electrical properties in the 30 cm 1 –4000 cm 1 and 400 cm 1 –4000 cm 1 spectral regions are established by introducing a parameter defined as error quadratic sum. It is indicated that their correlations become stronger at a higher carrier concentration and in a wider spectral region (30 cm 1 –4000 cm 1 ). These results suggest that the infrared reflectance technique can be used to accurately determine the thicknesses of the epilayers and the carrier concentrations, and the mobilities of both lightly and heavily doped 4H–SiC wafers.     

Characterization of 4Hben SiC substrates and epilayers by Fourier transform infrared reflectance spectroscopy

The infrared reflectance spectra of both 4H-SiC substrates and epilayers are measured in a wave number range from 400 cm^-1 to 4000 cm^-1 using a Fourier-transform spectrometer. The thicknesses of the 4H-SiC epilayers and the electrical properties, including the free-carrier concentrations and the mobilities of both the 4H-SiC substrates and the epilayers, are characterized through full line-shape fitting analyses. The correlations of the theoretical spectral profiles with the 4H-SiC electrical properties in the 30 cm^-1-4000 cm^-1 and 400 cm^-1-4000 cm^-1 spectral regions are established by introducing a parameter defined as error quadratic sum. It is indicated that their correlations become stronger at a higher carrier concentration and in a wider spectral region (30 cm^-1-4000 cm^-1). These results suggest that the infrared reflectance technique can be used to accurately determine the thicknesses of the epilayers and the carrier concentrations, and the mobilities of both lightly and heavily doped 4H-SiC wafers.