Fourier Transform Spectroscopy of Chemiluminescence from the SrO A(1)Sigma(+)-X(1)Sigma(+) Transition

The A(1)Sigma(+)-X(1)Sigma(+) chemiluminescence spectrum of SrO was observed using a Fourier transform spectrometer. SrO was produced in a Broida-type oven from the Sr + N(2)O reaction. A total of 75 bands from (88)SrO, (87)SrO, and (86)SrO were measured in the range of 7600-13 600 cm(-1) at a resolution of 0.04 cm(-1). The vibrational levels of the ground state were observed up to v" = 12 and over 10 000 rovibrational lines with J as high as 153 were analyzed at a precision of about 0.005 cm(-1). Significantly improved spectral constants for the ground state were obtained by representing the perturbed excited state by term values and by adding the known microwave data and infrared data to our fit. Strong perturbations were observed in the upper A state. The vibrational levels of the A(1)Sigma(+) state were measured up to v' = 8 and some new perturbations are reported. Copyright 2000 Academic Press.     

High-Resolution Laser Spectroscopy of YbCl: The A(2)Pi-X(2)Sigma(+) Transition

The A(2)Pi-X(2)Sigma(+) transition of (174)Yb(35)Cl and (172)Yb(35)Cl has been rotationally analyzed for the first time. Doppler-limited laser excitation spectroscopy with selective detection of fluorescence was used to obtain spectra of the 0-0 and 1-0 bands with a measurement accuracy of approximately 0.0035 cm(-1). Resolved fluorescence was used to record the 0-1, 0-2, and 0-3 bands and to unequivocally assign the rotational numbering, N, to the laser excitation spectra. In total, over 1300 line positions have been measured and assigned for each of the two isotopomers and employed in least-squares fits of molecular parameters. The principal results for the A(2)Pi state are A(e) = 1491.494(2) cm(-1) and R(e) = 2.4433(1) ?, and for the X(2)Sigma(+) state, R(e) = 2.4883(2) ? and gamma(e) = 4.59(2) x 10(-3) cm(-1). The interaction between the X(2)Sigma(+) and A(2)Pi states has been investigated and is shown to be the main contributor to the spin-rotation splitting in the ground state. Copyright 2000 Academic Press.     

High-Resolution Fourier Transform Emission Spectroscopy of the B(2)Sigma(+) (v = 0)-X(2)Sigma(+) (v = 0) Transition of the PN(+) Ion

Ultraviolet emission spectrum of the B(2)Sigma(+) (v = 0)-X(2)Sigma(+) (v = 0) transition of the PN(+) ion has been observed at a resolution of 0.05 cm(-1) by a Fourier transform spectrometer. The rotational analysis led to a great improvement of rotational constants in the B(2)Sigma(+) (v = 0) and X(2)Sigma(+) (v = 0) states as well as to the first determination of centrifugal distortion constants for both levels and spin-rotation interaction constant in the X(2)Sigma(+) (v = 0) state. Rotational perturbation in the B(2)Sigma(+) (v = 0) state was observed. Copyright 2000 Academic Press.     

Laser-Induced Fluorescence and Fourier Transform Spectroscopy of NiCl: Identification of a Low-Lying (2)Sigma(+) State (1768 cm(-1))

From a comparison with the spectrum of NiF, a low-lying (2)Sigma(+) state is expected to lie in the first 2000 cm(-1) above the ground X(2)Pi(3/2) state of NiCl. The identification of this (2)Sigma(+) (v = 0) state (at 1768 cm(-1)) has been carried out through the analysis of two electronic transitions (2)Pi(3/2)-(2)Sigma(+) (22 720 cm(-1)) and (2)Pi(1/2)-(2)Sigma(+) (23 210 cm(-1)) recorded by high-resolution Fourier transform spectroscopy. Dispersed fluorescence spectroscopy allowed these transitions to be located on an absolute energy-level diagram that includes the previously studied electronic states. Copyright 2000 Academic Press.     

A Reinvestigation of the c(3)Pi-X(1)Sigma(+) (0-0) Absorption Band of Carbon Monoxide

The forbidden c(3)Pi-X(1)Sigma(+) (0-0) absorption band of carbon monoxide has been reinvestigated under different pressure conditions using the 10.7-m VUV spectrograph at Meudon. Overlap with the allowed C(1)Pi-X(1)Sigma(+) (0-0) band at lower transition energy has been taken into account. We have identified a new rotational branch corresponding to an S-type branch and extended the analysis to both higher and lower J. An analysis of the band structure and the low J transition lines suggests that the band gains its intensity predominantly as a result of an interaction of the c(3)Pi state with a (1)Sigma(+) state, most likely the C(1)Sigma(+) (v = 0) state. Molecular constants have been obtained for the c(3)Pi state that are in reasonable agreement with those previously published. The apparently anomalous small value for the centrifugal distortion constant is explained by a homogeneous perturbation with the k(3)Pi valence state. Copyright 2000 Academic Press.     

The Electronic Spectrum of Germanium Monosulfide: Rotational Structure in the A(1)Pi-X(1)Sigma(+) Transition in (70)GeS

The emission spectrum of the specific isotopomer (70)GeS was excited in a microwave (2450-MHz) discharge and the A(1)Pi-X(1)Sigma(+) transition (270-430 nm) was photographed under high resolution on a 10.6-m Ebert grating spectrograph. The rotational analysis of 43 bands led to the determination of accurate vibrational and rotational constants. Making use of these constants, the potential energy curves for the A(1)Pi and X(1)Sigma(+) states were generated by the RKR method and Franck-Condon factors and r-centroids were computed for the bands analyzed. The present extensive high-resolution study has revealed only a few localized perturbations in the A(1)Pi (v'=4, 5, 9) vibronic states, which contrasts with the situation in the isovalent molecules such as GeO, SiS, and SiSe. Copyright 2001 Academic Press.     

High-Resolution Laser Spectroscopy of YbCl: The B(2)Sigma(+)-X(2)Sigma(+) Transition

High-resolution laser excitation spectra have been obtained for the 0-0, 1-1, and 0-1 bands of the B(2)Sigma(+)-X(2)Sigma(+) transition of YbCl and a rotational analysis has been performed on the (174)Yb(35)Cl and (172)Yb(35)Cl isotopomers. Comparison of the spin-rotation constant, gamma, for the B(2)Sigma(+) state with the lambda-doubling constant of the A(2)Pi(1/2) state (1) shows that the two excited states form a unique perturber pair arising from the 6psigma and 6ppi orbitals centered on the Yb(+) ion. The principal results for the B(2)Sigma(+) state are B(e)=0.097552(5) cm(-1), R(e)=2.43623(6) ?, gamma(e)=-2.1655(6)x10(-4) cm(-1), and DeltaG(1/2)=313.111(2) cm(-1). Copyright 2001 Academic Press.     

The Radial Hamiltonians for the X(1)Sigma(+) and B(1)Sigma(+) States of HCl

All literature vibration-rotational and pure rotational transition energies for the ground X(1)Sigma(+) electronic state of H(35)Cl, H(37)Cl, D(35)Cl, and D(37)Cl, along with the entire collection of electronic B(1)Sigma(+) --> X(1)Sigma(+) emission data for the four isotopomers, have been used in a least-squares fit of compact analytic Born-Oppenheimer potential functions for the B(1)Sigma(+) and X(1)Sigma(+) electronic states. Additional functions related to the adiabatic and nonadiabatic corrections have also been determined. Separate least-squares fits were made according to the hamiltonian operators of J. K. G. Watson (J. Mol. Spectrosc. 80, 411 (1980)) and R. M. Herman and J. F. Ogilvie (Adv. Chem. Phys. 103, 187 (1998)). The results from the separate analyses demonstrate clearly that the two hamiltonian operators are essentially equivalent, both achieving equally satisfactory representations of the spectral data, and furnishing virtually identical Born-Oppenheimer potential functions. Fully quantum-mechanical vibrational eigenvalues and rotational perturbation series parameters B(v)-O(v) are presented for the lower levels of the X(1)Sigma(+) ground state for which infrared and/or microwave data are available (v" 相似文献   

Fourier Transform Spectroscopy of the O(2) Herzberg Bands

From absorption spectra obtained at high resolution by coupling a Fourier transform spectrometer to a long-path multiple reflection cell [A. Jenouvrier, M.-F. Mérienne, B. Coquart, M. Carleer, S. Fally, A. C. Vandaele, C. Hermans, and R. Colin, J. Mol. Spectrosc. 198, 136-162 (1999)] the intensities of the O(2) Herzberg bands (A(3)Sigma(+)(u)-X(3)Sigma(-)(g), c(1)Sigma(-)(u)-X(3)Sigma(-)(g), A'( 3)Delta(u)-X(3)Sigma(-)(g)) have been studied at ambient temperature. The integrated cross section values are given for the lines of the (v'-0) bands in the A(3)Sigma(+)(u)-X(3)Sigma(-)(g), c(1)Sigma(-)(u)-X(3)Sigma(-)(g), and A'( 3)Delta(u)-X(3)Sigma(-)(g) transitions with v' = 0-11, v' = 2-19, and v' = 2-12, respectively. The band oscillator strengths have been deduced and transition moments have been calculated. The total absorption values in the region of the Herzberg bands together with the photoabsorption values determined previously above the dissociation limit can be modeled by a single curve, in agreement with the continuity relationship of the cross sections through the dissociation limit. Copyright 2000 Academic Press.     

Fourier Transform Infrared (FTIR) Spectroscopy of Biological Tissues

Abstract

This article reviews some of the recent advances on FTIR spectroscopy in areas related to natural tissues and cell biology. It is the second review publication resulting from a detailed study on the applications of spectroscopic methods in biological studies and summarizes some of the most widely used peak frequencies and their assignments. The aim of these studies is to prepare a database of molecular fingerprints, which will help researchers in defining the chemical structure of the biological tissues introducing most of the important peaks present in the natural tissues. 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 lead to significant improvements both in the quantity and quality of research and their outcomes. This article is the first review of its kind that provides a precise database on the most important FTIR characteristic peak frequencies for researchers aiming to analyze natural tissues by FTIR spectroscopy and will be of considerable assistance to those who are focusing on the analysis of cancerous tissues by FTIR spectroscopy.     

Characterization of the Ground State of Br(2) by Laser-Induced Fluorescence Fourier Transform Spectroscopy of the B(3)Pi(0(+))(u)-X(1)Sigma(+)(g) System

The laser-induced fluorescence (LIF) spectrum of the B(3)Pi(0(+))(u)-X(1)Sigma(+)(g) system of Br(2) was recorded by Fourier transform spectroscopy (FTS). The LIF spectra were obtained by using continuous-wave dye laser excitation in the spectral region 16 800-18 000 cm(-1). About 1800 rotationally resolved lines were recorded in 96 fluorescence progressions, originating from the 10 相似文献   

Near-Infrared Laser Spectroscopy of TiS: The b(1)Pi-X(3)Delta Transition

Laser-induced fluorescence spectrum of TiS in the 769-863 nm region has been recorded and analyzed. The TiS molecule was produced using the technique of laser vaporization/reaction with supersonic cooling. Twenty-one weak subbands have been assigned as being due to b(1)Pi-X(3)Delta, B(3)Pi(0)-X(3)Delta(1), and C(3)Delta-X(3)Delta transitions. Strong evidence shows that the b(1)Pi state is responsible for perturbing the v = 0, 1, and 2 levels of the C(3)Delta(1) subband. The molecular constants of the b(1)Pi state have been determined as follows: T(e) = 10 589.47 cm(-1), omega(e) = 542.14 cm(-1), omega(e)x(e) = 3.16 cm(-1), B(e) = 0.19568 cm(-1), and alpha(e) = 0.00085 cm(-1). The spin-orbit interaction between the b(1)Pi (v = 2 and 3) and C(3)Delta (v = 1 and 2) levels is discussed in terms of configuration interaction occurring between the b(1)Pi from the 11varsigma(1) 5pi(1) configuration and the (1)Pi from the 5pi(1) 1delta(1) configuration, and the C(3)Delta state from 12varsigma(1) 1delta(1) configuration. Copyright 2000 Academic Press.     

Fourier Transform Emission Spectroscopy of CuCl

The electronic spectra of CuCl were observed in the 18 000 cm(-1) to 25 000 cm(-1) spectral region using a Bruker IFS 120 HR Fourier transform spectrometer (FTS) and with the FTS associated with the McMath-Pierce Solar Telescope at Kitt Peak. On the basis of ab initio calculations, the labels for the electronic states were revised, and the a(3)Sigma(+)(1)-X(1)Sigma(+) 0-0 band, the b(3)Pi(0)-X(1)Sigma(+) 0-0, 1-0, and 0-1 bands, the b(3)Pi(1)-X(1)Sigma(+) 0-0, 1-0, and 0-1 bands, the A(1)Pi-X(1)Sigma(+) 0-0, 1-0, and 0-2 bands, and the B(1)Sigma(+)-X(1)Sigma(+) 0-0 and 1-0 bands were measured. Improved spectroscopic constants were obtained for the excited and ground states. Copyright 2001 Academic Press.     

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。     

Application of Fourier Transform Infrared (FTIR) Spectroscopy in the Characterization of Tannins

Abstract

A review of vibrational frequencies reported for tannin molecules is provided to create a database with typical fingerprints for different types of tannins. This will provide researchers working on vibrational spectroscopy applications and technicians a fast, easy, and reliable method to assess the quality and authenticity of these compounds, both extracted in laboratories and provided from commercial sources. The widespread use of these compounds has highlighted the need for a systematic characterization of the vibrational frequencies and molecular fingerprints for their identification and discrimination. According to our knowledge, this is the first systematic collection of typical peak frequencies for tannins, which can be applied in several research fields and technological applications.     

Fourier Transform Infrared Emission Spectroscopy of SeH

The infrared vibration-rotation bands of SeH have been measured in the X(2)Pi ground state using a Fourier transform spectrometer. The bands were observed in a microwave discharge of a mixture of H(2) and Se in the presence of He. The rotational structure of the 1-0, 2-1, 3-2 bands of the X(2)Pi(3/2) spin component and the 1-0 band of X(2)Pi(1/2) spin component has been observed in the 1800-2600 cm(-1) region. The principal ground state molecular constants obtained are omega(e) = 2421.7153(234) cm(-1), omega(e)x(e) = 44.6012(110) cm(-1), omega(e)y(e) = 0.20697(236) cm(-1), B(e) = 7.899187(696) cm(-1), alpha(e) = 0.220749(399) cm(-1), and r(e) = 1.464319(64) ?. This work is the first determination of the equilibrium molecular constants of the X(2)Pi state of SeH. Copyright 2000 Academic Press.     

二维傅里叶变换光谱实验方法简介

二维傅里叶变换光谱是近几十年来发展起来的一种先进光谱技术. 与其他超快光谱方法相比,它具有许多优点,并且为研究各种复杂系统提供了巨大的机会. 然而,二维傅里叶变换光谱的系统搭建、实验测量和理论描述仍面临许多挑战,从而限制了其广泛应用. 近年来,随着超快激光等各种相关技术的发展和革新,二维傅里叶变换光谱方法也逐渐发展成熟,进而大大降低了进行二维傅里叶变换光谱实验的技术壁垒. 对于二维傅里叶变换光谱实验装置的光学设计,目前存在许多不同的方法,每种方法都有其自身的优点和局限性. 但是目前还没有一个简单的教程可以帮助实验工作者选择搭建其第一套二维傅里叶变换光谱实验装置. 因此,本文旨在为计划搭建其第一套二维傅里叶变换光谱实验装置的初学者提供一个简短的介绍.     

41个茶花品种基因组DNA傅里叶变换红外光谱

研究的目的是通过全基因组DNA的傅里叶变换红外光谱(FTIR)对41种茶花品种进行聚类分析和品种鉴定。研究发现,41个茶花品种基因组DNA的FTIR光谱不同,方差分析显示,各茶花品种FTIR数据之间的差异显著,因而,红外光谱可以作指纹光谱鉴定茶花。通过系统聚类结合主成分分析,建立了41种茶花品种的标准聚类和识别模型。41种茶花品种基因组DNA样本的平均光谱的聚类正确率为92.68%,品种鉴定准确率为100%。聚类结果表明,在1.0聚类距离,41个山茶品种可分为9个类别,在15.0聚类距离下可分为3个大类。亲缘关系分析表明,滇山茶中的楚雄居群来自楚雄、腾冲和大理。结果表明：基因组DNA的FTIR光谱数据的系统聚类结合主成分分析可用于茶花快速分类和鉴定。     

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.