Ship-in-bottle formation of Ru_3(CO)_(12) in NaY zeolite

NaY zeolite entrapped Ru3(CO)12 cluster has been synthesized from RuCl3 ion-exchanged NaY, which is well characterized by IR and Raman spectroscopies and CO chemisorp-tion. When the Ru3+/NaY sample is heated from 298 K to 393 K for 25 h and for 10 h at 393 K, the sample colour changes from dark to brown-yellow. The in situ infrared spectrum exhibits absorption bands at 2130, 2064, 2040, 2017, 1990, 1953 and 1925 cm-1. The bands at 2130 cm-1 arises from the Runm+(CO)l m =1-3;n = 1 - 3; l = 1-12). The bands at 2064, 2040, 2017 and 1990 cm-1 are proposed to be associated with the Ru3(CO)12/NaY, which are close to Ru3(CO)12 crystalline. Furthermore, the Raman results provide bands at 150 and 185 cm-1, which can be attributed to Ru-Ru bonds of the sample as in the case of Ru3(CO)12 crystalline, for which the A1' Ru-Ru stretching mode is assigned to 185 cm-1 and E1' Ru-Ru stretching mode is assigned to a band at 150 cm-1, respectively. CO chemisorption of [Ru3]/NaY gives a CO/Ru ratio of 3.85, which is simila     

傅里叶变换红外光谱和傅里叶变换拉曼光谱法无损鉴别药材的真伪

利用傅里叶变换红外（FT-IR）和近红外傅里叶变换拉曼（NIR FT-aman）光谱法对大黄（西宁大黄）与伪品大黄（华北大黄、山大黄、水根大黄）进行了无损快速的鉴别。结果表明：尽管正品大黄与伪品大黄差别较小，有大部分的化学成分有很大的相同之处，但在红外、拉曼谱图中各自的特征峰较突出，根据谱峰的强度和位置可容易地将它们区别开来。红外和拉曼光谱法相互印证，相互补充，具有快速、准确、操作简单、重复性好、不需对样品进行分离提取，可直接鉴别等特点。     

Quality control of Metamitron in agrochemicals using Fourier transform infrared spectroscopy in the middle and near range

Two vibrational spectrometry-based methodologies were developed for Metamitron determination in pesticide formulations. Fourier transform-middle infrared (FT-MIR) procedure was based on the extraction of Metamitron by CHCl₃ and latter determination by peak area measurement between 1556 and 1533 cm⁻¹, corrected with a two points baseline established from 1572 to 1514 cm⁻¹. Fourier transform-near infrared (FT-NIR) determination was made after the extraction of Metamitron in acetonitrile and measuring the peak area between 6434 and 6394 cm⁻¹ corrected using a two points baseline defined between 6555 and 6228 cm⁻¹. Repeatability, as relative standard deviation, of 5 independent measurements at mg g⁻¹ concentration level, of 0.16% and 0.07% for MIR and NIR and a limit of detection of 0.03 and 0.004 mg g⁻¹ were obtained for MIR and NIR, respectively.NIR determination provides a sample frequency of 120 h⁻¹, higher than that found by MIR and liquid chromatographic methods (60 and 15 h⁻¹, respectively). On the other hand, the NIR method reduces the solvent consumption and waste generation, to only 1 ml acetonitrile per sample as compared with 3.4 ml chloroform required for the MIR determination and 60 ml acetonitrile used in the chromatographic reference procedure. So, vibrational procedures can be considered serious alternatives to long and time consuming chromatographic methods usually recommended for quality control of commercially available pesticide formulations.     

红外光谱法在双亲性化合物水溶液体系研究中的应用

浓度，温度，压力，体系组分及不同分子间相互作用等因素对双亲性化合物分子在水溶液体系中的聚集状态及相变过程均有影响。本文综述了富里叶变换红外光谱方法在这一研究领域内应用十余年间的研究进展。     

含多氟烷基侧链的螺环化合物的简易合成及其谱学研究

通过多步反应合成了含有一个长链氟烷基的螺环化合物（2-（5-氯-2，2，3，3，4，4，5，5-八氟-戊烷基）．3-（1-碘-甲基）-8，8-二甲基-7，9-二氧杂-螺[4，5]癸烷-6，10-二酮）。通过对各步产物及最终化合物的^1H NMR、^13C NMR、^1H-^13C COSY和IR、MS谱及X-衍射图的分析，对相关化合物进行了结构确证。     

Intrinsic infrared absorption for carbon–fluorine bonding in fluorinated nanodiamond

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十九种长链正烷基脂肪酸的碳链骨架振动能量研究

本文通过红外光谱(FT-IR)测量数据和预测数据,计算与研究了十九种长链正烷基脂肪酸(简称脂肪酸或碳酸)的碳链骨架振动能量。结果显示出脂肪酸的碳链骨架振动能量随碳数增加呈阶梯状关系,而且脂肪酸的碳链骨架振动能量∑E出现奇偶数更迭规律。此结果可用来解释脂肪酸的熔点或熔化热呈现奇偶数更迭现象。     

Quantification of several atmospheric gases from high resolution infrared solar spectra obtained at the south pole in 1980 and 1986

Simultaneous total column amounts of a number of minor and trace atmospheric gases above the South Pole in December 1980 and December 1986 have been deduced from analysis of high resolution solar absorption spectra recorded (by F. J. M. and F. H. M.) from Amundsen-Scott South Pole Station. These spectra also contain some limited information on the vertical profiles of the observed atmospheric gases.The data sets were recorded with a Bomem Michelson-type interferometer and analyzed with a spectral least-squares fitting procedure, utilizing the best available spectroscopic line parameters and absorption cross sections. Because the same instrument, line parameters, and analysis method have been used in analyzing the December 1980 and December 1986 data sets, the precision in comparing the column amounts from these two dates is rather high, about 10–20% for the stronger absorbing gases. For this reason, it has been possible to quantify or determine upper limits for differences between the December 1980 and December 1986 total column amounts, of a number of atmospheric gases including O₃, N₂O, HNO₃, CO₂, CH₄, and CF₂C_{1 2} (CFC 12). In addition, vertical column amounts for a number of atmospheric gases covered only in the December 1986 observations have been derived, including HC1, NO, NO₂, and C₂H₆. Some of these results will be discussed here. The HC1 measurements are especially interesting since the observed amounts are higher than expected from observations made at lower latitudes in the northern and southern hemispheres.     

Thermal analytical and infrared spectroscopic investigations on polymorphic organic compounds-II

At room temperature, three of the six polymorphic compounds described are not present in their highest melting-point form, owing to enantiotropy. These three are triphenyltin chloride (3 modifications), 1-(4,4-dimethyl-2-oxo-3-tetrahydrofuryl)thiourea (4 modifications), and 2-aminoethyl diphenylborinate (3 modifications). In the case of 4-amino-1-(2-phenylethyl)-1,2,4-triazoline-5-thione, in addition to the absolutely stable modificationI, a further six unstable crystal forms have been observed. The three modifications of,-dimethyl-[1,1-biphenyl]-4-methanol are also monotropic in character. 2,9-Dimethyl-1,10-phenanthroline, the three polymorphic forms of which are unstable, is a special case, since it absorbs water from the air and changes into a semi-hydrate.     

四氯合锌酸二（正十二烷基铵）晶体相变机理的付里叶变换红外光谱研究

采用变温红外光谱研究了层结构标题配合物的固。固相变机理；相变主要与烷烃链和－ＮＨ＿３极性端基结构变化有关，主要来源于烷烃链的堆积结构和构象的有序。无序变化，同时伴有Ｎ－Ｈ…Ｃｌ氢键强度的降低，由于在高温烃链产生ＧＴＧ＋ＧＴＧ＇和临近端基的ＴＧ构象以及ＧＧ链段，链大量扭曲，形成了烷烃链的“熔化”态，发现同相和异相Ｃ－Ｃ伸缩振动频率对烷烃“链熔化”相变很敏感，可用于表征烷烃链的链长变化。