Fourier transform infrared emission spectra of MnH and MnD

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X⁷Σ⁺ electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm⁻¹. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant (ω_e) for MnH was found to be 1546.84518(65) cm⁻¹, the equilibrium rotational constant (B_e) is 5.6856789(103) cm⁻¹ and the eqilibrium bond distance (r_e) was determined to be 1.7308601(47) Å.     

Fourier transform infrared spectra of the FO2 radical

Six infrared bands of FO₂ have been measured at high resolution using a fast-flow long-path absorption cell and a Fourier transform spectrometer. The bands have been analyzed to obtain accurate band origins, as well as rotational, centrifugal distortion, and spin-rotation parameters. In order of increasing wavenumber they are ν₃ at 579 cm⁻¹, ν₂ + ν₃ at 940 cm⁻¹, 2ν₃ at 1142 cm⁻¹, ν₁ at 1487 cm⁻¹, ν₂ + 2ν₃ at 1496 cm⁻¹, and 2ν₁ at 2948 cm⁻¹. Only ν₃ has been studied previously (by C. Yamada and E. Hirota, J. Chem. Phys. 80, 4694–4700 (1984)); the other bands are rotationally analyzed here for the first time. The ν₁ and ν₂ + 2ν₃ vibrations were found to be strongly mixed by Coriolis- and Fermi-type interactions and were thus analyzed simultaneously. 2ν₁ was also observed to be perturbed, but the perturbations were not analyzed. FO₂ now becomes one of the best-characterized unstable free radicals in terms of its rotation-vibration structure.     

High-resolution infrared spectra of air pollutants with fourier transform spectroscopy

A Fourier transform spectrometer coupled with a long-path cell was used to record high resolution infrared spectra of air pollutants at very low concentrations. The spectral transmittance curves of CO were measured at room temperature, at a constant resolution of 0·5 cm^-1, at partial pressures from 2·32 to 0·004 torr, N₂ being the diluent. Apparent absorption coefficients were tabulated at 0·2-cm^-1 intervals. The techniques and data are applicable to studies of our contaminated atmosphere.     

The infrared spectra of 12C32S, 12C34S, 13C32S,and 12C33S

Using a tunable diode laser spectrometer, the infrared absorption spectra of four isotopic species of carbon monosulfide have been observed in the positive column of a dc discharge of CS₂ and Ar. The wavenumbers of 115 vibration-rotation transitions between 1180.5 and 1266.1 cm^?1 have been measured. These lines were assigned to the 1-0, 2-1, 3-2, and 4-3 bands of ¹²C³²S, the 1-0 and 2-1 bands of ¹²C³⁴S and ¹³C³²S, and the 1-0 band of ¹²C³³S. These new data have been combined with the previous infrared and microwave results to determine Dunham coefficients (Y_ij), the Dunham potential expansion constants (a₀,a₁,a₂,a₃, and a₄), and the classical turning points by the RKR method.     

Microwave spectra of carbonyl sulfide: Measurements of ground state and vibrationally excited 16O13C32S, 18O12C32S,and other isotopic species

Microwave measurements have been made on isotopically enriched samples of ¹³C-carbonyl sulfide and ¹⁸O-carbonyl sulfide. Centrifugal distortion constants and l-type doubling constants have been determined for these isotopically substituted molecules. Rotational constants have been measured for all vibrational states below 2150 cm^?1 and B_e values have been determined. The equilibrium bond distances calculated from different pairs of isotopes are compared and a substitution equilibrium structure is given. Some new measurements are also reported for the isotopic species ¹⁸O¹³C³²S, ¹⁸O¹³C³⁴S, ¹⁸O¹²C³⁴S, and ¹⁶O¹³C³⁴S.     

Fourier transform infrared spectrum of thioketene,CH2CS

The FTIR spectrum of the unstable species thioketene, CH₂CS, has been detected in a vapor-phase flow pyrolysis system. The region 800–3500 cm^?1 has been surveyed with a resolution of 1 cm^?1, enabling the frequencies of the six fundamentals which lie above 800 cm^?1 to be determined. Certain bands have been studied under very high resolution and the results of the analyses of the perpendicular bands ν₇ and ν₃ + ν₈, observed with a resolution of 0.01 and 0.005 cm^?1 respectively, are presented. The ground state constant, A₀, is determined as 286 453.60(58) cm^?1.     

High-resolution infrared spectra of NCCN and NCCN

High-resolution spectra of ¹⁵N¹²C¹²C¹⁵N and ¹⁴N¹³C¹³C¹⁴N have been measured and analyzed from 200 to 3600 cm⁻¹. All the vibrational levels below 900 cm⁻¹ have been observed and characterized. The Fermi resonance between ν₂ and 2ν₄ has been studied and the resonance constant has been determined for several cases. Several Σ⁻ states have been directly observed for the first time for each isotopomer, the (0001111)0f, (0011111)0f, and (0002222)0f states. The pattern of the energy levels for clusters of l-type resonance coupled levels, such as 0001131,3, has been determined for cyanogen for the first time. Among other things this involved the determination of the vibrational l-type resonance constant, r₄₅. Many of the power series constants, α_i and x_ij, and higher order constants have been determined.     

Submillimeter microwave spectrum and spectroscopic constants of the OCS molecule: Isotopic species 16O12C33S and 18O12C32S

Microwave spectra of ¹⁶O¹²C³³S and ¹⁸O¹²C³²S in their natural isotopic abundances were investigated in the range 280–510 GHz. The effective rotational and centrifugal constants have been determined for all observed vibrational states. An analysis of the rotational spectrum taking account of l- and Fermi-resonances has been performed within each isotopic species.     

Fourier transform infrared spectra of H2CS and D2CS

Infrared spectra of thoformaldehyde, H₂CS and D₂CS, were observed in the gas phase at a resolution of better than 0.1 cm^?1 from 4000 to 400 cm^?1 using a Nicolet FTIR system. Vibrational band origins and rotational constants were determined for ν₂, ν₃, ν₄, and ν₆ of H₂CS and for ν₁, ν₂, ν₃, ν₄, and ν₆ of D₂CS. The ν₃, ν₄, and ν₆ bands of H₂CS were analyzed as a set of three Coriolis interacting bands, and three Coriolis constants were determined; similarly the ν₄ and ν₆ bands of D₂CS were analyzed as a pair of interacting bands and one Coriolis constant was determined. A general harmonic force field was determined, without constraints, to fit the vibrational wavenumbers, Coriolis constants, and centrifugal distortion constants. A zero-point (r_z) structure was determined from the ground-state rotational constants, and the equilibrium (r_e) bond lengths were estimated.     

应用红外光谱技术鉴别中药麝香的真伪

采用傅里叶变换红外(FTIR)光谱法并结合二阶导数技术,测定了中药天然麝香及其伪品的红外光谱.结果表明:天然麝香的主要特征峰为3 284,2 923,2 851,1 655,1 546,1 400,1 038 cm-1等吸收峰,分别代表蛋白质、大环酮类和甾体类等主要成分;与天然麝香相比,麝香伪品的红外光谱的吸收的位置和强度有明显差异,可被容易区分;天然麝香、市售麝香及人工麝香的谱图相似性较高,尤其是人工麝香与天然麝香极其相似,难以区分;采用傅里叶二阶导数谱,提高了谱图分辨率,可直观有效地鉴别正品麝香.该方法具有快速、灵敏、直观、无损等特点,可为名贵药材的来源与真伪鉴别提供了新的手段.     

Comparison of Fourier transform infrared (FTIR) spectra of individual cells acquired using synchrotron and conventional sources

The ability of infrared (IR) spectroscopy to distinguish and map cancerous and non-cancerous tissue has opened the question of the origin of spectral differences between normal and cancerous cells. Given the size of human cells (about 12–50 μm in diameter), IR micro-spectroscopy (IR-MSP) is an ideal tool for studying individual cells, or fractions thereof. In this contribution, the methodology for collecting IR spectra of individual cells will be explored using spectrometers that employ either synchrotron or conventional (thermal) light sources. Although synchrotron-based measurements are superior to those of conventional instruments, particularly at apertures approaching the diffraction limit, the difference in spectral quality and data acquisition time has been reduced drastically for a new generation of conventional instruments.     

High-resolution infrared spectra of bicyclo[1.1.1]pentane

Infrared spectra of bicyclo[1.1.1]pentane (C₅H₈) have been recorded at a resolution (0.0015 cm⁻¹) sufficient to resolve for the first time individual rovibrational lines. This initial report presents the ground state constants for this molecule determined from the detailed analysis of three of the ten infrared-allowed bands, ν₁₄(e′) at 540 cm⁻¹, ν₁₇ (a₂″) at 1220 cm⁻¹, ν₁₈(a₂″) at 832 cm⁻¹, and a partial analysis of the ν₁₁(e′) band at 1237 cm⁻¹. The upper states of transitions involving the lowest frequency mode, ν₁₄(e′), show no evidence of rovibrational perturbations but those for the ν₁₇ and ν₁₈ (a₂″) modes give clear indication of Coriolis coupling to nearby e′ levels. Accordingly, ground state constants were determined by use of the combination-difference method for all three bands. The assigned frequencies provided over 3300 consistent ground state difference values, yielding the following constants for the ground state (in units of cm⁻¹): B₀ = 0.2399412(2), D_J = 6.024(6) × 10⁻⁸, D_JK = −1.930(21) × 10⁻⁸. For the unperturbed ν₁₄(e′) fundamental, more than 3500 transitions were analyzed and the band origin was found to be at 540.34225(2) cm⁻¹. The numbers in parentheses are the uncertainties (two standard deviations) in the values of the constants. The results are compared with those obtained previously for [1.1.1]propellane and with those computed at the ab initio anharmonic level using the B3LYP density functional method with a cc-pVTZ basis set.     

Analysis of the Fourier transform spectra of 12C17O2 and 12C17O18O: The ν2 (15 μm) region

The vibration-rotation spectra of the ν₂ fundamental of ¹²C¹⁷O₂ and ¹²C¹⁷O¹⁸O have been obtained by Fourier transform spectroscopy at 0.05 cm^?1 resolution. The data were fitted by a least-squares routine to obtain a number of the molecular constants. The band center for ¹²C¹⁷O₂ lies at 662.0716 cm^?1 while that for ¹²C¹⁷O¹⁸O is at 659.7057 cm^?1. The difference bands ν₁ - ν₂ have also been observed for the two molecular species.     

基于傅里叶变换红外光谱的土传真菌分类研究

应用FTIR-ATR光谱技术与多元统计分析相结合的方法对镰刀菌、立枯丝核菌、核盘菌、瓜果腐霉菌和辣椒疫霉菌等重要的土传致病真菌进行鉴别.对测得的FTIR光谱进行了归一化和二阶求导处理,选择了适合于真菌分类识别的14个光谱特征波段.在此基础上,采用典型判别分析和系统聚类分析对不同菌株进行了识别.结果表明,不同菌种间识别准确率达到100%,而镰刀菌种内不同菌株间识别准确率为95.56%,说明傅里叶变换红外光谱技术在植物病原真菌分类识别方面具有较大的应用潜能.     

Remote measurement of volcanic gases by Fourier transform infrared spectroscopy

Received: 25 March 1998     

High-resolution laser Stark and Fourier transform spectroscopy of DBr at 5.5 μm

A very close coincidence between the P(1) transition of the 1-0 band of D⁷⁹Br and a CO laser line has allowed the observation of a DBr laser Stark spectrum. The observed inverse Lamb dips resolve the Br hyperfine structure of the transition, and are used to determine the value of the dipole moment of DBr in the v = 1 state. A high-resolution Fourier transform spectrum of DBr in the region 1750 to 1900 cm^?1 has also been recorded and accurately measured. These new data, together with the best previous microwave and infrared measurements, are used to determine molecular parameters for DBr, and also result in improved secondary wavenumber standards for the 5.5-μm region.     

High-resolution spectroscopy of some gaseous molecules with a submillimetre Fourier transform spectrometer

High-resolution measurements on some gaseous molecules have been made with a lamellar-grating Fourier transform spectrometer. The instrument has a nominal unapodized resolution of 0.028 cm⁻¹ and an accuracy of frequency of ±0.0019 cm⁻¹. The measured results on gaseous H₂O, CO, N₂O, CH₃CN, CH₃Cl and CH₃OH are shown and discussed.