Br2分子里德堡态的高分辨转动谱研究

用窄线宽（０．０８ｃｍ＾－＾１）脉冲可调谐紫外激光和（２＋１）多光子电离方法测量了Ｂｒ２的里德堡（Ｒｙｄｂｅｒｇ）态光谱,在７００００－７１５００ｃｍ＾－＾１范围内,获得了溴分子［П３／２］４ｄ振动系列,测量（ｖ＇,ｖ”）＝（１,０）,（２,０）的高分辨振转谱,得到其转动常数Ｂ’７９－８１分别为０．０８８３２和０．０８８０５ｃｍ＾－＾１,并提出此系列的角动量量子数Ω应为１。     

溴分子[^2Π3／2]4d里德堡态的转动谱的计算模拟

对溴分子在６８８００－７２００ｃｍ＾－１范围内的两个被观察到的［＾２Π３／２］４ｄ偶宇称里堡态的转动光谱进行了计算模拟，确定了转动常数，并且证实了原先对实验光谱的传动结构和电子角动量的标识。     

Sr（5p^1P1）的P轨道角动量的碰撞跃迁

用线偏振的脉冲激光泵浦的Ｓｒ（５ｐ＾１Ｐ１，Ｍ＝０）原子，在束气条件下，与Ａｒ原子碰撞而发生Ｐ轨道角动量的跃迁。在不同的氢气压力下，通过检测Ｓｒ原子荧光在水平和垂直方向上的偏振分量随时间的变化，确定了去偏振速率常数ｋｐ＝２．５±０．５×１０＾－９ｃｍ＾３ｍｏｌ＾－１ｓ＾－１。由此推导出角动量碰撞跃迁的截面为σＴ＝２ｎｍ＾２２，如此之大的跃迁截面归结为Ｓｒ（５ｐ＾１Ｐ１）和Ａｒ之间的长程相互作用。     

NO分子(5σ)~2(1π)~43p-(5σ)~2(1π)~3(2π)~2构形相互作用与转动能级结构

在考虑ＮＯ分子的（５σ）２（１π）４３ｐ－（５σ）２（１π）３（２π）２构形相互作用的情况下，对Ｄ２Σ＋（ｖ＝６），Ｃ２Π（ｖ＝６），Ｂ２Π（ｖ＝２４）和Ｌ２Π（ｖ＝４）电子态的转动能级结构以及态函数进行了计算，计算结果与实验结果很相符。     

原子核物理一题解

原子核物理一题解解由已知条件知，真空管的内直径为１ｍ，所以真空管的内截面积＝π（１ｍ）２／４，环的圆周长＝３π（ｍ），构成环的真空管的容积＝３π２／４＝７．４（ｍ３），压强ｐ＝１０－５ｍＨｇ＝１０－５×１３．６×１０３×９．８１＝１．３４Ｐａ．由气体...     

NH2自由基A~^2A1,X~^21电子态弯曲振动能级的理论计算

采用大振幅弯曲振动哈密顿,考虑到电子轨道角动量的Ｒｅｎｎｅｒ－Ｔｅｌｌｅｒ效应,从理论上计算了自由基ＮＨ２Ａ￣＾２Ａ１,Ｘ￣＾２Ｂ１电子态弯曲振动及其Ｋ型转动能级,计算结果在较大的能量范围内与实验数据符合较好。     

~（171）Lu1／2~－［541］轨道的形变驱动作用

通过熔合蒸发反应１６０Ｇｄ（１９Ｆ，６ｎ２ｐ）对１７１Ｌｕ的１／２－［５４１］转动带进行了研究，观测到了此带的第一带交叉频率．与相邻偶偶核相比该频率值推迟了约４０ｋｅＶ．推转壳模型对单准质子的顺排角动量和能量的计算结果表明πｈ９／２［５４１］１／２－轨道的形变驱动作用对这种推迟的贡献是不应被忽略的．     

SCF—Xα—SW程序和LMTO程序的改进及其在固体体系中的应用

在ＹＨ－１／ＹＨ－２计算机上将多重散射Ｘα自洽场方法（ＳＣＦ－Ｘα－ＳＷ）程序和线性Ｍｕｆｆｉｎ－ｔｉｎ轨道方法（ＬＭＴＯ）程序做了改进，实现了向量化和并行化。研究了Ｃ６０的能级；计算了苯分子从１ｅ１ｇ，２ｅ２ｇ和１ａ２ｕ开始激发的１０８个Ｒｙｄｂｅｒｇ态单电子轨道激发能，即１ｅ１ｇ，２ｅ２ｇ，１ａ２ｕ→ｋａ１ｇ（ｋ＝３－１１），ｋｅ２ｇ（ｋ＝２－７），ｋｅ１ｕ（ｋ＝３－８），ｋｅ１ｇ（ｋ＝３－５     

Bi2.2Sr1.8Ca1.05Cu2.15—xNaxO8＋y超导电性研究

本介绍了用熔融法制备Ｂｉ２．２Ｓｒ１．８Ｃａ１．０５Ｃｕ２．１５－ｘＮａｘＯ８＋ｙ（ｘ＝０，０．４～０．８）样品，发现诸样品零电阻温度都在９０Ｋ左右，其中ｘ＝０．７，Ｔｃ０达到９２．５Ｋ。在８１Ｋ较高温区，该类样品仍然表现出良好的超导电性，其临界电流密度还达到１０＾３Ａ／ｃｍ＾２量级。     

Bi_（2．2）Sr_（1．8）Ca_（1．05）Cu（2．15－x）NaxO_

本文介绍了用熔融法制备Ｂｉ２．２Ｓｒ１．８Ｃａ１．０５Ｃｕ２．１５－ｘＮａｘＯ８＋ｙ（ｘ＝０，０．４～０．８）样品，发现诸样品零电阻温度都在９０Ｋ左右，其小ｘ＝０．７．Ｔｃ０达到９２，５Ｋ．在８１Ｋ较高温区，该类样品仍然表现出良好的超导电性，其临界电流密度还达到１０３Ａ／ｃｍ２量级．     

正氢和仲氢分子的核间距

采用ＦＴ－拉曼光谱技术，测定正氢和仲氢的转动拉曼光谱，计算出正氢和仲氢分子的核间距分别是７５．０３和７４．９８ｐｍ（１ｐｍ＝１０＾－１２ｍ）。     

LOCAL MODE SPECTROSCOPIC STUDY OF THE AsH3 MOLECULE: THE PERTURBED (500) LOCAL MODE OVERTONE

The high resolution Fourier transform spectra of AsH₃ in the region of 9720-9900 cm^-1, which had been recorded at a resolution of 0.015 cm^-1, were assigned to the (500; A₁) and (500; E) local mode overtones and rotationally analyzed. The effective spectroscopic parameters were obtained by nonlinear least-squares fitting the vibration-rotational Hamiltonian with the rotational energy levels up to J=6 (98 levels in all) included. The evolution of the rotational energy patterns from v=1 to v=6 shows that the tendency of normal mode to local mode vibration evolution has been stopped by perturbations in relatively high energy region.     

Determination of the Isotope Shift of the 00Band of the First Singlet–Singlet Electronic Transition of Cl- and Br-Benzene in a Supersonic Beam

By using resonance-enhanced two-photon ionization in a supersonic beam, photoionization spectra of the 0⁰₀band of the first singlet–singlet electronic transition of³⁵Cl-,³⁷Cl-,⁷⁹Br-, and⁸¹Br-C₆H₅have been obtained at a rotational temperature of 1 K. The ions have been analyzed according to their masses in a time-of-flight mass spectrometer. From the spectra of³⁵Cl- and³⁷Cl-C₆H₅obtained simultaneously, an isotope shift of 0.14 ± 0.02 cm⁻¹has been determined. Similarly, from the spectra of⁷⁹Br- and⁸¹Br-C₆H₅the isotope shift resulted to be smaller than 0.02 cm⁻¹. The spectra obtained have been interpreted by considering the geometrical structure and symmetry of each molecule, and values for the rotational constants and geometrical parameters in the upper and lower states have been obtained in agreement with the experimental results.     

Laser spectroscopy of jet－cooled CuF in visible region

The laser-induced fluorescence excitation spectra of jet-cooled CuF have been recorded in the range of 19000－21470cm^{-1}, in which the CuF radicals were produced by the reaction of SF_6 with copper atoms from a dc discharge-sputtering source under supersonic jet conditions. Eight observed vibronic transition bands have been assigned as the transition from the ground state X(^1Σ^+) to B(^1Σ^+), C(^1Π) and an unreported upper state. The rotational structure of all observed bands has been analysed at the estimated rotational temperature 80K. We determined the newly observed band to be the (^1Π, v=1)－X(^1Σ^+v=0) transition according to the character of the rotational structure and the isotopic shift analysis. In addition, the lifetimes of the states involved in these bands were measured.     

Analysis of the 1-v" Progression of the 3A Band System (c(3)Pi-a(3)Pi) in the (13)C(16)O Molecule Spectrum

The 1-0, 1-1, and 1-2 bands of the 3A system of (13)CO (c(3)Pi-a(3)Pi) have been recorded for the first time, in the form of discharge emission spectra photographed at high resolution. Preliminary rotational analysis suggests that the v = 1 level of the c(3)Pi state is perturbed in a fashion similar to the v = 0 level, previously observed by Dabrowski et al. (1987. I. Dabrowski, M. Vervolet, and D. C. Wang, Can. J. Phys. 65, 1171-1177). Rotational combination differences from the 1720 measured lines have been used to obtain rotational constants for the v = 0-2 levels of the a(3)Pi state, using the Hamiltonian of Brown et al. (1979. J. M. Brown, E. A. Calbourn, J. K. G. Watson, and F. D. Wayne, J. Mol. Spectrosc. 74, 294-318). and the least squares formalism of Curl and Dane (1988. J. Mol. Spectrosc. 128, 406-412), as modified by Watson (1989. J. Mol. Spectrosc. 138, 302-308). Term values for the c(3)Pi, v = 1 level have then been obtained from the line frequencies, and a set of effective rotational constants for the c(3)Pi (v = 1) level of (13)CO has been derived. Copyright 2000 Academic Press.     

The nu(1) and nu(3) Bands of the (17)O(16)O(17)O Isotopomer of Ozone

Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an (17)O-enriched ozone sample, an extensive analysis of the nu(3) band together with a partial identification of the nu(1) band of the (17)O(16)O(17)O isotopomer of ozone has been performed for the first time. As for other C(2v)-type ozone isotopomers [J.-M. Flaud and R. Bacis, Spectrochim. Acta, Part A 54, 3-16 (1998)], the (001) rotational levels are involved in a Coriolis-type resonance with the levels of the (100) vibrational state. The experimental rotational levels of the (001) and (100) vibrational states have been satisfactorily reproduced using a Hamiltonian matrix which takes into account the observed rovibrational resonances. In this way precise vibrational energies and rotational and coupling constants were deduced and the following band centers nu(0)(nu(3)) = 1030.0946 cm(-1) and nu(0)(nu(1)) = 1086.7490 cm(-1) were obtained for the nu(3) and nu(1) bands, respectively. Copyright 2000 Academic Press.     

Microwave, Submillimeter-Wave, and High-Resolution FTIR Study of SO(2)F(2) in the nu(8) State

The high-resolution infrared spectrum of the nu(8) band of SO(2)F(2) (nu(as) SF(2)) centered at 887.2 cm(-1) has been recorded with a resolution of 2.4 x 10(-3) cm(-1). More than 8000 transitions of the C-type band with DeltaK(a) = +/-1 (and in addition some DeltaK(a) = +/-3 transitions) have been assigned. Microwave and millimeter-wave spectra of the v(8) = 1 state up to 450 GHz have been recorded, and 177 pure rotational transitions have been measured. Rotational and rovibrational data have been combined, and excited state parameters up to sextic centrifugal distortion constants have been determined using a Watson-type Hamiltonian in S-reduction. No perturbation was indicated. Copyright 2000 Academic Press.     

Dipole moment and far infra-red absorption of quinuclidine (1-aza-bicyclo-[2-2-2]-octane)

Incoherent quasi-elastic neutron-scattering spectra have been measured on powder samples of D-BPBAC in its smectic E, B and A phases using the high-resolution backscattering technique. The data have been analysed in terms of translational diffusion and a localized rotational motion. It has been found that the apparent translational diffusion constant has a temperature dependent value of ～1 × 10^-6 cm² s^-1 in the smectic A phase but is smaller by at least an order of magnitude in the smectic B and E phases. Comparison of the widths of the rotational components of the spectra with other measurements suggests that simple rotational models are not adequate to explain the experimental data.     

Millimeter-wave spectrum of BrCN produced by dc discharge

Ground state (v=0) and first excited state (v=1) millimeter-wave rotational absorption spectra of cyanogen bromide (BrCN) and some of its isotopic species, have been investigated in the frequency region: 40.0-75.0 GHz using a source-modulated millimeter-wave spectrometer. Millimeter-wave radiation has been produced using a frequency multiplier, the fundamental radiation source being klystrons. BrCN has been produced by applying a dc glow discharge through a mixture of 3-bromobenzonitrile and trifluoromethylbromide (CF₃Br) at low pressure. The quadrupole hyperfine structure of ⁸¹Br and ⁷⁹Br have been resolved, measured, and analyzed. Finally, internuclear distances of BrCN have been determined.     

The millimeter wave spectrum of phosphorus oxychloride

Millimeter wave rotational spectra of phosphorus oxychloride (OPCl₃) in the ground and excited vibrational states have been recorded and analyzed. The v₅ = 1 and v₆ = 1 state spectra show large splittings due to l resonance and the effect of the 2, -1 term r_t. Coriolis constants have been obtained for the two lowest degenerate states. The spectra of the asymmetric top species OP³⁵Cl₂³⁷Cl have been analyzed and centrifugal distortion constants obtained. These have been used to determine the harmonic force field of the molecule.