【材料研究方法】光谱分析(英文)

Vibrational spectroscopy6.3.7 Absorbant intensity and IR spectroscopyt r a n s m i t t a n c e Fig. 6-18 IR spectrum. s （strong ）、m （medium ）、w（weak ）、vw （very weak ）a b s o r b a n c eVibrational spectroscopy3334 cm -1–OH stretch. Normal range: 3350±150 cm -1. This is a verycharacteristic group frequency. All of the peaks due to the OH group are broad due to hydrogen bonding.Vibrational spectroscopy 3390 cm-1–NH2antisymmetric stretch.Normal range: 3300±100 cm-1. Muchweaker adsorption than the OH stretchin hexanol.Vibrational spectroscopy 3290cm-1–NH2symmetric stretch. 2°amines have only one NH stretch, and3°amines have none.Vibrational spectroscopy Spectral interpretation always starts at the high end, because there are the best group frequencies and they are the easiest to interpret. No peaks appear above 3000 cm-1, the cut-off for unsaturated C-H. the four peaks below 3000 cm-1 are saturated C-H stretching modes.Vibrational spectroscopy 3050 ±50 cm-1 corresponds to the aromatic orunsaturated C(sp2)-H stretch. Always above3000 cm-1. These bands are not assigned tospecific vibrational modes.Vibrational spectroscopy 3080cm-1=CH3080 cm1 2 antisymmetric stretch. An absorption above 3000 cm-1 indicates the presence of an unsaturation (double or triple bond or an aromatic ring).Vibrational spectroscopy 2247 cm-1 C≡N stretch. Normal range:2250±10 cm-1 , lowered 10-20 cm-1when conjugated. Compare to the C ≡Cstretch in 1-heptyne (3000 cm-1).Vibrational spectroscopy 1742 cm-1, -C=O stretch. In small ring esters, this vibration is shifted to higher frequency by coupling to the stretch ofthe adjacent of O-C and C-C bonds. The amount of coupling depends on the O-C(O)-C angle. As with other carbonyl groups, conjugation lowers the frequency.Vibrational spectroscopy 1642 cm-1, C=C stretch. Normalrange:164020cm-1for cis andrange: 1640±20 cm for cis andvinyl, 1670±10 cm-1for trans, tri andtetra substituted. Trans-2-hexene(overlay menu) has only a very weakabsorption, because there is verylittle dipole change when an internaldouble bond stretches (it is nearlysymmetric).Vibrational spectroscopyThe broad peak at approximately 1460 cm-1is actually two overlapping peaks. At1640±10 cm-1, the antisymmetric bend ofthe CH3group absorbs. This is a degenerage bend (one shown).Vibrational spectroscopy At 1375 ±10cm-1, the CH3 symmetric bend (also called the“umbrella” bend) absorbs. This peak is very useful becauseit is isolated from the other peaks. Compare the spectrum ofcyclohexane. The most prominent difference between thetwo spectra is the absence of a CH3 symmetric bend in thecyclohexane spectrum./cm-11715 1800 1828 1928。

1. Elemental Analysis 元素分析Atomic absorption spectroscopy 原子吸收光谱Auger electron spectroscopy (AES) 俄歇电子能谱Electron probe microanalysis (EPMA) 电子探针微分析Electron spectroscopy for chemical analysis (ESCA) 化学分析电子能谱Energy dispersive spectroscopy (EDS) 能量色散谱Flame photometry 火焰光度法Wavelength dispersive spectroscopy (WDS)X-ray fluorescence X射线荧光2. Molecular and Solid State Analysis 分子与固态分析Chromatography [gas chromatography (GC), size exclusion chromatography (SEC)]色谱[气相色谱，体积排除色谱]Electron diffraction 电子衍射Electron microscopy [scanning electron microscopy (SEM),transmission electron microscopy (TEM),scanning TEM (STEM)] 电子显微镜Electron spin resonance (ESR) 电子自旋共振Infrared spectroscopy (IR) 红外光谱Mass spectrometry 质谱Mercury porosimetry 压汞法Mossbauer spectroscopy 穆斯堡尔谱Nuclear magnetic resonance (NMR) 核磁共振Neutron diffraction 中子衍射Optical microscopy 光学显微镜Optical rotatory dispersion (ORD) 旋光色散Raman spectroscopy 拉曼光谱Rutherford back scattering (RBS) 卢瑟福背散射Small angle x-ray scattering (SAXS) 小角X射线散射Thermal analysis [differential scanning calorimetry (DSC),thermal gravimetric analysis (TGA),differential thermal analysis (DTA) temperature desorption spectroscopy (TDS),thermomechanical analysis (TMA)]热分析[差示扫描量热计法，热-重分析，微分热分析，升温脱附，热机械分析]UV spectroscopy 紫外光谱X-ray techniques [x-ray photoelectron spectroscopy (XPS), x-ray diffraction (XRD), x-ray emission,x-ray absorption] X射线技术[x射线光电子能谱，x射线衍射，x射线发射，x射线吸收]3. Surface Characterization Techniques 表面表征技术Electron energy loss spectroscopy (EELS) 电子能量损失谱Ellipsometry 椭圆偏振术Extended x-ray absorption fine structure (EXAFS) 扩展X射线吸收精细结构Helium (or atom) diffractionLateral (or frictional) force microscopy (LFM) 横向（摩擦）力显微镜Low-energy electron diffraction (LEED) 低能电子衍射Magnetic force microscopy (MFM) 磁力显微镜Near-edge x-ray adsorption fine structure (NEXAFS) 近边X射线吸收精细结构Near field scanning 近场扫描Reflection high-energy electron diffraction (RHEED) 反射高能电子衍射Scanning tunneling microscopy (STM) 扫描隧道显微镜Scanning force microscopy (SFM) 扫描力显微镜Secondary ion mass spectroscopy (SIMS) 二次离子质谱Surface enhanced raman spectroscopy (SERS) 表面增强拉曼光谱Surface extended x-ray adsorption fine structure (SEXAFS) 表面扩展X射线吸收精细结构Surface force apparatus 表面力仪器。

Vibrational spectroscopy6.3.1 Fundamentals of vibrational spectroscopyDefinition Vibrational spectroscopy:is concerned with the d t ti f t iti detection of transitions between energy levels in molecules that result from stretching and bending vibrations of the interatomic bonds.asymmetricalVibrational spectroscopyKinds of vibrational spectroscopy ¾Infra-red spectroscopy(more sensitive to polarized group)6.3.1 Fundamentals of vibrational spectroscopysymmetrical¾Raman spectroscopy (moresensitive to non-polarized)Both methods are concerned with vibrations in molecules , they differ in the manner in which interaction with the exciting radiation occurs .Linear PE: (a) IR, (b)RamanFig. 6-14 Dipole moment of HClVibrational spectroscopyVibrating of Disulfide carbonSymmetrical stretchingInfrared inactive 6.3.2 Infrared spectroscopyAsymmetrical stretchingBendingInfrared activeInfrared inactive Fig. 6-15 Vibration of Disulfide carbonm1lowHigh/cm-1High/cm-1lowVibrational spectroscopy Methylbenzene(甲苯)2005.2 S. Guv =0 represents the ground state v =l the excited vibrational state6.3.3 Raman spectroscopy(1)(2)(3)Vibrational spectroscopy ¾The essential prerequisite for Raman scattering is a change in the polarizability of the bond when vibrations occur.Polarizability may be thought of as a measure of 6.3.3 Raman spectroscopy¾Polarizability may be thought of as a measure of theFig. 6-16 Motion state of linear molecules Degrees of freedom (H2O) : 3×3−6 = 3Vibraitonal modes (methylene group)：2926cm-1（s）asνAsymmetricalsν: 2853 cm Symmetricalδ：1468 cm-1(m) δr：720 cm-1(CH1306～1303cm-1（w）γt ：1250cmscissoring rocking waggingHexaneFour peakspSpectral interpretation always starts at the high end, because there are the best group frequencies and they are the easiest to interpret. No peaks appear above 3000 cm-1, the cut-off for unsaturated C-H. the four peaks below 3000 cm-1 are saturated C-H stretching modes.HexaneThe peak at 2962 cm-1 isassigned to the antisymmetricassigned to the antisymmetricstretch of the CH3group. Thisvibration is always found inthe range 2962±10 cm-1. thereare actually two degenerateantisymmetric stretchingmodes (only one shown).HexaneAt 2926cm-1, the CH2antisymmetric stretchabsorbs.Normal range:2926±10 cm-1.HexaneAt 2872cm-1, the CH3symmetric stretchabsorbs.Normal range:2872±10 cm-1.HexaneAt2853-1,the CHAt 2853cm, the CH2symmetric stretchabsorbs.Normal range:2853±10 cm-1.Vibrational spectroscopy Hexane1470cm-1This is the C-H bendingregion, expanded to show thenearly overlapping peaks forthe CH3and CH2bends.Vibrational spectroscopyHexanerocking When four or more CH2groups arein a chain, a vibration at 720±10cm-1corresponds to concertedrocking of all of the CH2’s.Vibrational spectroscopyHexanol3334 cm-1–OH stretch. Normal range: 3350±150 cm-1.This is a very characteristic group frequency. All of thepeaks due to the OH group are broad due to hydrogenbonding.Vibrational spectroscopy Hexanol 1430 cm -1–OH bend . Normal range: 1400±100 cm -1. This broad peak is buried under the CH bending modes.Vibrational spectroscopyHexanol660 cm -1–OH wag. While not a group frequency, this is another band due to the OH.Vibrational spectroscopy Aromatic ring expansion (Methylbenzene )At 1601 cm -1, thesymmetric ring strethch absorbs. Normal range: 1590±10 cm -1. This ib ti h di lOnly notsymmetrically substituted.vibration has a dipole change (and absords in IR) only when notsymmetrically substituted. The intensity of this band also varies with thesubstituent. Compare to p-xylene from the overlay menu.Vibrational spectroscopyAromatic ring expansion (Methylbenzene )At 1500cm -1, a different ring stretch absorbs. Range: 1500±10cm -1. Variable intensityVibrational spectroscopy 6.3.6 Comparing of IR and Raman SpectroscopyasymmetricalsymmetricalFig. 6-17 Linear PE: (a) IR, (b) Raman。

光谱分析仪分析流程英文回答：Spectroscopy is a technique used to analyze the interaction between matter and electromagnetic radiation.It provides valuable information about the composition, structure, and properties of materials. Spectroscopy instruments, known as spectrometers, are used to measure and analyze the intensity and wavelength of electromagnetic radiation.The analysis process using a spectrometer typically involves several steps. Here is a general outline of the spectroscopy analysis workflow:1. Sample Preparation: The first step is to prepare the sample for analysis. This may involve cleaning, grinding, or diluting the sample depending on its nature. It is essential to ensure that the sample is representative and homogeneous.2. Instrument Calibration: Before starting the analysis, the spectrometer needs to be calibrated. Calibrationinvolves measuring known reference samples to establish a baseline for accurate measurements. This step ensures that the instrument is properly adjusted and provides reliable results.3. Measurement: Once the sample is prepared and the instrument is calibrated, the measurement can begin. The sample is placed in the spectrometer, and the instrument measures the intensity of the radiation at different wavelengths. The resulting data is called a spectrum.4. Data Analysis: After obtaining the spectrum, thenext step is to analyze the data. This involvesinterpreting the peaks, patterns, and intensities in the spectrum. Various mathematical and statistical techniques can be applied to extract meaningful information from the data.5. Identification and Quantification: Based on theanalysis of the spectrum, the next step is to identify and quantify the components present in the sample. This can be done by comparing the obtained spectrum with reference spectra or using spectral databases. Quantification involves determining the concentration or amount of each component.6. Data Reporting: Finally, the analysis results are documented and reported. This includes summarizing the findings, presenting the spectra and their interpretations, and providing any additional relevant information. The report may also include recommendations or further analysis suggestions.Spectroscopy analysis can be performed using various techniques such as UV-Vis spectroscopy, infrared spectroscopy, Raman spectroscopy, and nuclear magnetic resonance spectroscopy, among others. Each technique hasits specific principles and applications, but the general analysis workflow remains similar.中文回答：光谱分析仪是一种用于分析物质与电磁辐射相互作用的技术。