复合物o—C6H4F2.Ar的电子S1态的内部van der Waals振动

报道了复合物ｏ－Ｃ６Ｈ４Ｆ２．Ａｒ的电子Ｓ１态内ｖａｎ ｄｅｒ Ｗａａｌｓ（ｖｄｗ）振动的实验和理论研究。在超声束中,利用双光子共振电离光谱和飞行时间质谱技术,揭示了Ｓ１←Ｓ０电子态跃迁涉及内ｖｄＷ振动的３个谱带。光谱分析表明,一＋１６．１ｃｍ＾－１是Ａｒ沿ｏ－Ｃ６Ｈ４Ｆ２分子对称面内的振动模的基频跃迁。     

氟原子与氯溴代甲烷反应的光谱及动力学研究

本文报导了氯原子与三种含氢氯溴代甲烷（ＣＨ２ＢｒＣｌ，ＣＨＢｒＣｌ２，ＣＨＢｒ２Ｃｌ）反应的光谱及动力学研究结果，观察了这些反应的可见化学发光（３００－９００ｎｍ）和染料Ｒ６Ｇ波段（５６５－６１０ｎｍ）的激光诱导荧光，观测到ＨＦ基电子态振动泛频跃迁和Ｂｒ２（Ａ，Ｂ），ＢｒＦ（Ｂ）分子电子激发态跃迁的发射谱以及ＢｒＦ（Ｘ），ＣＨＦ（Ｘ）的基电子态的激发谱，计算机模拟光谱求出了Ｂｒ２（Ｂ），ＢｒＦ（Ｘ     

CH^35Cl3和CH^35Cl2^37Cl分子V=3的傅里叶变换光谱研究

采用傅里叶变换光谱技术（ＦＴＳ）记录了ＣＨ＾３５Ｃｌ３和它的同位素分子ＣＨ＾３５Ｃｌ２＾３７Ｃｌ的Ｖ＝３的高分辨光谱，由于０．０２ｍ＾－１分经不足以分辨Ｋ结构，我们将所观察到的谱线近似归属为Ｋ＝０的转动能级，归属了ＣＨ＾３５Ｃｌ３岔子４〈Ｊ〈７３，ＣＨ＾３５Ｃｌ＾３７Ｃｌ分子６〈Ｊ〈５３的转动级。最后采用最小二乘法拟合，得到了关于Ｊ的转动常数和振动带心。     

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…

用漫反射红外光谱和光声红外光谱研究了金属羰基化合物（ＣｐＦｅ（ＣＯ）２）２Ｃｐ＝η＾５－Ｃ５Ｈ５与酸性，中性和碱性Ａｌ２Ｏ３及ＴｉＯ２的相互作用，结果表明，在Ａｌ２Ｏ３表面生成的洗生物种类及浓度与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（ＣＯ２Ｃｐ）＾＋及少量的ＣｐＦｅ（ＣＯ）２（－Ｏ－）；在中性Ａｌ２Ｏ３表面存在的ＣｐＦｅ（ＣＯ）２（－Ｏ     

取代苯胺基亚胺二茂铁类化合物莫斯鲍尔谱及分子光谱研究

本文报道了６种取代苯胺基亚胺二茂铁类化合物Ｒ－Ｎ＝ＣＨ－Ｆｅ（－Ｆｅ为二茂铁基，Ｒ为－Ｃ６Ｈ４Ｘ，（Ｘ＝Ｈ，４－Ｂｒ，４－ＯＨ，２－ＣＨ３，４－ＣＯＯＨ）及４－ＮＨＣ６Ｈ４ＮＯ２）的Ｍｏｓｓｂａｕｅｒ谱数据，其化学位移分别为（ｍｍ．ｓ＾－１）：０．３２３，０．３３２，０．３３８，０．３２４，０．３１５和０．３１０。其四极矩分裂值分别为（ｍｍ．ｓ＾－１）：２．２６３，２．２８５，２．２８７，２．２１     

激波管中H2—O2爆轰产物辐射光谱的实验研究

本文采用Ｐｏｌａｒｏｉｄ６６７高速感光底片和大型石英棱镜摄谱仪，首次成功地拍摄到３０００Ａ～６４５０Ａ范围内激波管中Ｈ２－Ｏ２爆轰及杂质光谱。经识别确认出以下谱线和谱带：ＯＨ（０，０）、ＯＨ（０，１）和Ｏ２Ｓｃｈｕｍａｎｎ－Ｒｕｎｇｅ分子谱带，管壁物质及管内附积物Ｆｅ、Ｃｒ、Ｃａ、Ｍｎ、Ｍｇ、Ｎａ的原子谱线以及管壁物质和管内附积物参与化学反应的中间产物的分子谱带系ＦｅＯ（黄带系）、ＣｒＯ（红黄带系     

EuCl3.6H2O中Eu^3＋的^5D0—^7F0跃迁的“反常”温度效应及其跃迁机制研究

研究了ＥｕＣｌ３．６Ｈ２Ｏ的Ｅｕ＾３＋的＾５Ｄ０－＾６Ｆ０“禁戒”跃迁的机制有其“反常”温度效应。通过比较没温度下荧光光谱中＾５Ｄ０－＾６跃迁和＾５Ｄ０－＾７Ｆ０跃迁第一条谱线的强度比，发现由于晶格振动，＾７Ｆ２态通过四个频率为２４５ｃｍ－１的声子与＾７Ｆ０态耦合，使＾７Ｆ０态成为混合态，因而使＾５Ｄ０－＾７Ｆ－的跃迁成为可能，并且其振子强度随温度的变化而变化。     

射频磁控溅射CaS∶TmF_3薄膜的电致发光及其激发过程的研究

首次报道了射频磁控溅射ＣａＳ∶ＴｍＦ３薄膜的蓝色交流电致发光．电致发光谱包含位于４８０、６５３、７０３和８０３ｎｍ的四组发光峰，分别对应着三价Ｔｍ３＋离子的１Ｇ４→３Ｈ６、１Ｇ４→３Ｈ４、３Ｆ３→３Ｈ６和３Ｆ４→３Ｈ６的电子跃迁发光．通过对ＣａＳ∶ＴｍＦ３粉末的激发光谱的研究，我们发现由于蓝峰和红外峰的激发峰的能量不同导致不同能量的光子激发下的光致发光光谱的红外／蓝峰的强度比有较大的差别．通过对电致发光光谱中红外／蓝峰强度比与不同波长的激发光激发下ＣａＳ∶ＴｍＦ３粉末的光致发光光谱的红外／蓝峰强度比的对比研究，我们判断主要激发过程为从基质到Ｔｍ３＋中心的能量传递．     

呋喃分子在450nm的多光子电离碎片化动力学

用分质量多光子电离光谱和飞行时间质谱研究了呋喃分子在４４０－４６０ｎｍ之间的多光子电离碎片化动力学。实验观察到的主要离子是Ｃ＾＋，Ｃ＾＋２，ＣＨＯ＾＋和Ｃ３Ｈ＾＋３，在实验允许的功率范围内没有观察到母离子Ｃ４Ｈ４Ｏ＾＋。跟踪这些离子得到的ＭＰＩ光谱具有相似的光谱特征，而且可以归属于母体分子三光子从基电子态到５ｐ，５ｄ，５ｆ等里德堡态的跃迁，说明这是呋喃分子ＭＰＩＦ过程的速度控制步骤。根据热力学数据     

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）。     

气相吡啶分子S1态的(2+3)偏振共振多光子电离谱研究

利用气相吡啶分子分别在圆偏振光激发和线偏振光激发下的（２＋３）偏振共振多光子电离（ＰＲＭＰＩ）谱,对其第一激发态（Ｓ１）上的振转结构进行了研究。在谱中观察到了呈双峰结构的电子振转跃迁谱带。分析表明,所有振动谱带均为Ｓ１态上Ｖ６ａ、Ｖ１０ａ、Ｖ１２、Ｖ１６ｂ和Ｖ１７ａ以及基态上Ｖ９ａ的混合频率谱带。旨认吡啶Ｖ１７ａ的Ｓ１态频率为６７０ｃｍ＾－１,并认为在Ｓ１态上Ｖ７ａ频率降低的原因与Ｖ１０ａ类似。     

Bi_(3.15)Nd_(0.15)Ti_3O_(12)纳米棒的拉曼和紫外吸收光谱研究

以Bi(NO3)3.5H2O,Nd(NO3)3.6H2O和Ti(OC4H9)4为原料,加入聚乙烯醇(PVA-124),采用水热法在200℃经48 h合成了铋层状钙钛矿结构掺钕钛酸铋(Bi3.15Nd0.85Ti3O12,BNdT)纳米棒,纳米棒直径约10~200 nm,长度达十几微米。利用Raman散射研究了掺钕对钛酸铋晶格结构的影响。掺钕钛酸铋和钛酸铋的Raman光谱表明,Nd取代了类钙钛矿层中A位的Bi,掺Nd改善了BTO的对称性和减小了TiO6八面体的畸变。利用UV-vis光谱研究了BNdT纳米棒的光吸收特性,BNdT纳米棒存在A(400 nm),B(275 nm),C(210 nm),D(196 nm)四个吸收带,分别对应于电子从Bi3+的基态1S0到激发态3P1,3P2,1P1的跃迁和电子从阴离子团TiO6八面体到带正电的Bi3+离子的跃迁。BNdT的带隙为4.3 eV,大的带隙归因于纳米结构的量子尺寸效应。     

Novel Quadruple Fluorescence Properties of Two Benzoylthiourea Isomers

Two benzoylthiourea isomers, N-2-flurobenzoy-N'-4- (N,N-dimethyl)amidophenylthiourea (2FBDAPT) and N-4-fluro-benzoy-N'-4- (N,N-dimethyl)amidophenylthiourea (4FBDAPT) were determined by fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR) and X-ray diffraction. It was found that intra- and intermolecular hydrogen bonds played an important role in determining their conformations. Electronic spectra of the two compounds were investigated by UV absorption and steady-state fluorescence methods. The intermolecular hydrogen bond between the title compounds and methanol molecules caused the long wavelength absorption bands in methanol to weaken and vanish indeed. Quadruple fluorescence bands in ultraviolet and visible region were observed in the studied solvents upon the variable excitation wavelength. As same as Azumaya's suggestions for benzanilide (BA), F4 fluorescence bands with the maximum wavelength (λ(max)) between 546?nm and 622?nm were characteristic of TICT fluorescence. F3 bands of λ(max) from 434?nm to 483?nm were explained by the ESIPT model of the S1 state of the thiol tautomer to the S1 state of the keto tautomer. The new proposition was that F2 bands with λ(max) at about 365?nm were attributed to ESIPT from the S1 state of the thiol tautomer to the S0 state of the enol tautomer. And F1 fluorescence emissions with λ(max) at about 310?nm originated from the local S1 transitions of the enol tautomer. All experimental results were supported by MP2, CASSCF and CASPT2 quantum chemical calculations.     

Spectroscopy of charmed baryons

We have fitted the masses and elastic widths of the S=0 baryons in the context of the QCD-improved quark shell model. All states in theN=0, 1, 2 and 3 harmonic oscillator bands have been included. Three models for the decay of these states have been studied, and it is concluded that the usual spectator model for the decays must be modified. Many resonances in theN=2 and 3 bands were found to decouple from the πN channel, supporting a previous solution to the missing resonance puzzle. No evidence has been found for the tensor force, while conflicting data exist for the 3-body spin orbit term. We also have found evidence that the contact force varies with band. The (56,1^?) multiplet is lower than expected.     

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.     

Fourier Transform Emission Spectroscopy of the Low-Lying Electronic States of NbN

The high-resolution spectrum of NbN has been investigated in emission in the 3000-15 000 cm(-1) region using a Fourier transform spectrometer. The bands were excited in a microwave discharge through a mixture of NbCl(5) vapor, approximately 5 mTorr of N(2), and 3 Torr of He. Numerous bands observed in the near-infrared region have been classified into the following transitions: f(1)Phi-c(1)Gamma, e(1)Pi-a(1)Delta, C(3)Pi(0+)-A(3)Sigma(-)(1), C(3)Pi(0-)-A(3)Sigma(-)(1), C(3)Pi(1)-a(1)Delta, C(3)Pi(1)-A(3)Sigma(-)(0), d(1)Sigma(+)-A(3)Sigma(-)(0), and d(1)Sigma(+)-b(1)Sigma(+). These observations are consistent with the energy level diagram provided by laser excitation and emission spectroscopy [Y. Azuma, G. Huang, M. P. J. Lyne, A. J. Merer, and V. I. Srdanov, J. Chem. Phys. 100, 4138-4155 (1993)]. The missing d(1)Sigma(+) state has been observed for the first time and its spectroscopic parameters are consistent with the theoretical predictions of S. R. Langhoff and W. Bauschlicher, Jr. [J. Mol. Spectrosc. 143, 169-179 (1990)]. Rotational analysis of a number of bands has been obtained and improved spectroscopic parameters have been extracted for the low-lying electronic states. The observation of several vibrational bands with v = 1 has enabled us to determine the vibrational intervals and equilibrium bond lengths for the A(3)Sigma(-)(0), a(1)Delta, b(1)Sigma(+), d(1)Sigma(+), and C(3)Pi(1) states. Copyright 2000 Academic Press.     

Description of the Superdeformed Bands of the Lutetium Isotopes

In the cases with and without a perturbation possessing the S0_sdg(5) (or SU_sdg(5)) symmetry in the supersymmetry scheme with many-body interactions, superdeformed bands in the odd-A Lu isotopes ^163,165,167Lu are investigated. Quantitatively good results of γ-ray energies and dynamical moments of inertia are obtained in both of the two cases. It shows that the supersymmetry scheme with many-body interactions has almost the same power to describe the triaxial superdeformed bands as to the other superdeformed bands.     

Fourier transform emission spectroscopy of the CΔ-XΦ, DΔ-XΦ, GΦ-XΦ and GΦ-CΔ systems of CoCl

The emission spectrum of CoCl has been recorded in the 2000-23 000 cm⁻¹ region at high resolution. CoCl was made in a carbon tube furnace by heating cobalt metal to a temperature of about 2300 °C as well as in a DC discharge source and the spectra were observed using a Fourier transform spectrometer. The bands observed in the 2000-13 000 cm⁻¹ interval have been classified into four transitions: C³Δ-X³Φ (2500-3600 cm⁻¹), D³Δ-X³Φ (9300-10 030 cm⁻¹), G³Φ-X³Φ (8500-13 000 cm⁻¹) and G³Φ-C³Δ (7400-7900 cm⁻¹) analogous to the near infrared transitions of CoF reported previously [R.S. Ram, P.F. Bernath, S.P. Davis, J. Chem. Phys. 104 (1996) 6949.]. A rotational analysis of a number of vibrational bands of these transitions has been obtained and spectroscopic constants extracted for the low-lying electronic states of CoCl. It is found that the energy levels of CoCl correlate very well with those of CoF and CoH.     

Line positions and strengths of 41 bands including 10 OCS isotopologues in the 3850-4200 cm region

The present analysis substantially improves the spectroscopic characterization of near infrared OCS in a window region (3850-4200 cm⁻¹) important for atmospheric studies of Venus. Previous studies in this spectral region cataloged numerous OCS line positions, but accurate line intensities were measured for only three strong bands. In this paper, the corresponding line intensities are obtained for 41 OCS bands, including weak isotopic bands reported for the first time. The 2ν₃ (0002-0000) band is analyzed for 10 OCS isotopologues (adding ¹⁶O¹³C³⁴S, ¹⁷O¹²C³²S, ¹⁶O¹²C³⁶S, ¹⁸O¹²C³⁴S, and ¹⁶O¹³C³³S). In addition, observations of 0332-0330 of the main isotope, ¹⁶O¹²C³²S, provides accurate vibration-rotation parameters for the upper state (and the lower state, 0330 of ¹⁶O¹²C³²S). Finally, one unidentified band is seen at 3969.3 cm⁻¹; its lower state is clearly the ground state of ¹⁶O¹²C³²S. The line strengths of these seven previously unanalyzed bands plus 34 other bands of the OCS isotopologues, ¹⁶O¹²C³²S, ¹⁶O¹²C³⁴S, ¹⁶O¹³C³²S, ¹⁶O¹²C³³S, and ¹⁸O¹²C³²S, were least-squares fitted to determine strength parameters, S_v and Herman-Wallis coefficients. Finally, the intensities of 17 additional very weak bands were estimated to provide an extensive new database of OCS line parameters to support remote sensing of Venus. The integrated intensity in cm⁻¹/(molecule cm⁻²) at 296 K is 8.1×10⁻¹⁹ for the 3800-4200 cm⁻¹ region.     

High-resolution infrared spectrum of the 859- and 1711-cm−1 bands of carbonyl sulfide (OCS)

The ν₁ and 2ν₁ bands of OCS have been measured using grating spectrometers and a tunable diode laser spectrometer. Preliminary wavenumbers for OCS absorption lines useful for calibrating tunable laser systems are given for the wavenumber intervals 825 to 885 cm^?1 and 1665 to 1737 cm^?1. Measurements and an analysis are given for the bands 10⁰0-00⁰0, 11¹0-01¹0, 20⁰0-00⁰0, 21¹0-01¹0, and 30⁰0-10⁰0 of the ¹⁶O¹²C³²S isotopic species and for the 20⁰0-00⁰0 band of the ¹⁶O¹³C³²S and ¹⁶O¹²C³⁴S species. Effective band constants are given for these bands.