The Mechanism of Magnetically Tuned Singlet-Triplet Avoided Crossings in the Ã(1)A(2)-&Xtilde;(1)A(1) 4(1)(0) Band of Thioformaldehyde H(2)C&dbond;S

Magnetically tuned singlet-triplet perturbations in the 4(1)?(1)A(2)-2(1)3(1)?(3)A(2) system of thioformaldehyde, found in ortho-rotational states (I = 1, the two hydrogen spins parallel) have been identified as being caused by vibronic spin-orbit coupling. This perturbation mechanism has been confirmed in several avoided crossings observed in this work for para states (I = 0, hydrogen spins antiparallel) which are much stronger. Parametrization of the theory has led to a quantitative understanding of the experimental frequency-field relations, and to an accurate prediction of the rovibrational energies of the triplet state. This in turn permitted the detection of about 100 Doppler-limited 2(1)3(1)?(3)A(2)-0(0) &Xtilde;(1)A(1) rovibronic transitions which led into fine structure states. The combined data was then used to determine a set of rotational, fine, and hyperfine triplet-state parameters, the term value T(0)(2(1)3(1)?(3)A(2)) = (16 685.385 +/- 0.002) cm(-1), and the spin-orbit vibronic singlet-triplet coupling constant, W(ST) = (0.0691 +/- 0.0016) cm(-1). A large number of frequency perturbations observed in the crossings, ranging from 2 to 300 MHz, can be explained with this single parameter. Copyright 2000 Academic Press.     

First High-Resolution Infrared Observation of the Symmetry-Forbidden nu(5) Band of (10)B(2)H(6)

Spectra of (10)B monoisotopic diborane, B(2)H(6), have been recorded at high resolution (2-3 x 10(-3) cm(-1)) by means of Fourier transform spectroscopy in the region 700-1300 cm(-1). A thorough analysis of the nu(18) a-type, nu(14) c-type, and nu(5) symmetry-forbidden band has been performed. Of particular interest are the results concerning the nu(5) symmetry-forbidden band, which is observed only because it borrows intensity through an a-type Coriolis interaction with the very strong nu(18) infrared band located approximately 350 cm(-1) higher in wavenumber. The nu(5) band has been observed around 833 cm(-1) and consists of a well-resolved Q branch accompanied by weaker P- and R-branch lines. Very anomalous line intensities are seen, with the low K(a) transitions being vanishingly weak, and Raman-like selection rules observed. The determination of the upper state Hamiltonian constants proved to be difficult since the corresponding energy levels of each of the bands are strongly perturbed by nearby dark states. To account for these strong localized resonances, it was necessary to introduce the relevant interacting terms in the Hamiltonian. As a result the upper state energy levels were calculated satisfactorily, and precise vibrational energies and rotational and coupling constants were determined. In particular the following band centers were derived: nu(0) (nu(5)) = 832.8496(70) cm(-1), nu(0) (nu(14)) = 977.57843(70) cm(-1), and nu(0) (nu(18)) = 1178.6346(40) cm(-1). (Type A standard uncertainties (1varsigma) are given in parentheses.) Copyright 2000 Academic Press.     

六亚甲基桥连的希夫碱及其锰（Ⅲ）络合物催化剂的红外光谱研究

研究了六亚甲基桥连的希夫碱及其锰（Ⅲ）络合物催化剂的红外光谱，对一些主要谱带进行了经验归属。配体的分子内氢键谱带出现在～３４３８ｃｍ－１（以ＬＨ为例），νＣ＝Ｎ谱带在～１６３０ｃｍ－１（以ＣＨ为例，下同），苯的特征谱带在～１５９８，～１４６９和～７５５ｃｍ－１，νＭｎ—Ｎ为主的复合振动在～３６９ｃｍ－１，δＭｎ—Ｎ为主的复合振动在～２４７ｃｍ－１，νＭｎ—Ｏ为主的复合振动在～３２９ｃｍ－１，δＭｎ—Ｏ为主的复合振动在～２７５ｃｍ－１，νＭｎ—Ｃｌ特征谱带在～３０３ｃｍ－１。与苯基锰（Ⅲ）卟啉络合物相比，νＭｎ—Ｎ特征谱带向高波数位移，νＭｎ—Ｃｌ特征谱带则向低波数有较大位移。     

Pushing the limits of plasma length in inertial-fusion laser-plasma interaction experiments

We demonstrate laser beam propagation and low backscatter in laser produced hohlraum plasmas of ignition plasma length. At intensities I < 5 x 10(14) W cm(-2) greater than 80% of the energy in a blue (3 omega, 351 nm) laser is transmitted through a L=5-mm long, high-temperature (Te = 2.5 keV), high-density (ne = 5 x 10(20) cm(-3)) plasma. These experiments show that the backscatter scales exponentially with plasma length which is consistent with linear theory. The backscatter calculated by a new steady state 3D laser-plasma interaction code developed for large ignition plasmas is in good agreement with the measurements.     

Temperature-dependent transport in suspended graphene

The resistivity of ultraclean suspended graphene is strongly temperature (T) dependent for 50.5 x 10(11) cm(-2), the resistivity increases with increasing T and is linear above 50 K, suggesting carrier scattering from acoustic phonons. At T=240 K the mobility is approximately 120,000 cm2/V s, higher than in any known semiconductor. At the charge neutral point we observe a nonuniversal conductivity that decreases with decreasing T, consistent with a density inhomogeneity <10(8) cm(-2).     

透明光学树脂中Eu3+辐射参数的理论和实验研究

报道了一种新合成的含三元稀土配合物的透明光学树脂材料的辐射特性的研究。基于J-O参数理论,利用含稀土配合物Eu(TTA)3phen-0.31wt%的光学树脂的发射荧光光谱,计算了Eu3 在光学树脂基质中的J-O参数Ω2=10.139 4×10-20cm2,Ω4=3.810 9×10-20cm2,Ω6=9.050 7×10-20cm2。利用得到的J-O参数可以计算光学树脂中Eu3 的跃迁振子强度fcal,5D0激发态的辐射跃迁概率A(456.6 s-1)、辐射寿命τ(2 190.1μs),还计算了光学树脂中Eu3 的跃迁5D0→7FJ′(其中J′=1,2,4,6)的发射截面σ、荧光分支比β。通过分析计算得到的J-O参数可知,光学树脂中Eu3 的5D0亚稳态的寿命较长,跃迁5D0→7F2的发射截面最大,说明含稀土配合物的光学树脂具有作光放大或激光材料的潜在性。     

溶胶-凝胶法制备Bi0.5Na0.5TiO3陶瓷及其电学特性

用溶胶-凝胶工艺成功制备出Bi05Na05TiO3纳米微粉，并利用此微粉烧结出高致密度的Bi05Na05TiO3陶瓷.这种新工艺制备的Bi05Na05TiO3陶瓷，其压电性能远远高于普通方法制备的陶瓷，其中压电常数d33和机电耦合系数kt分别高达102×10-12C/N和58%.同时发现，对于这种Bi05Na05TiO3陶瓷，室温时只需施加100kV/cm左右的交变电场，就可得到矩形度极好的饱和回线，得到的剩余极化Pr和矫顽场Ec分别为32μC/cm2和61kV/cm.而在100℃以上只需施加35kV/cm的极化电场就可使样品充分极化.     

Spin-electron-phonon excitation in Re-based half-metallic double perovskites

A remarkable hardening (~30 cm(-1)) of the normal mode of vibration associated with the symmetric stretching of the oxygen octahedra for the Ba(2)FeReO(6) and Sr(2)CrReO(6) double perovskites is observed below the corresponding magnetic ordering temperatures. The very large magnitude of this effect and its absence for the antisymmetric stretching mode provide evidence against a conventional spin-phonon coupling mechanism. Our observations are consistent with a collective excitation formed by the combination of the vibrational mode with oscillations of Fe or Cr 3d and Re 5d occupations and spin magnitudes.     

Rovibrational Intensities of the (00(0)3) <-- (10(0)0) Dyad Absorption Bands of (12)C(16)O(2)

Absolute line intensities of (12)C(16)O(2) are experimentally measured for the first time for the (00(0)3)(I) <-- (10(0)0)(II) band at 5687.17 cm(-1) and the (00(0)3)(I) <-- (10(0)0)(I) band at 5584.39 cm(-1). The spectra were obtained using a Bomem DA8 Fourier transform spectrometer and a 25-m base-path White cell at NASA-Ames Research Center. The rotationless bandstrengths at a temperature of 296 K and the Herman-Wallis parameters are S(0)(vib) = 6.68(30) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 1.4(9) x 10(-4), and A(2) = -1.1(5) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(II) band and S(0)(vib) = 6.07(22) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 5.2(1.5) x 10(-4) and A(2) = -4.0(7) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(I) band.     

原位DRIFTS研究CH4部分氧化和CO2重整的耦合

8%Ru-5?/γ-Al2O3催化剂对于甲烷的低温活化具有较好的催化活性,在500℃下甲烷、二氧化碳和氧气的耦合反应中,吸热反应二氧化碳重整和放热反应甲烷部分氧化进行耦合强化,使得耦合反应中的甲烷转化率为38.8%。用原位漫反射傅里叶红外光谱法对钌系催化剂耦合甲烷部分氧化和二氧化碳重整反应体系机理进行研究。CO在8%Ru-5?/γ-Al2O3上吸附,表明CO在催化剂表面上波数为2 167 cm-1(2 118 cm-1)和2031 cm-1(2 034 cm-1)处形成孪生态Ru(CO)2和Ce(CO)2吸附物种,而且高温下CO吸附物种很容易从催化剂表面脱附出来。原位漫反射红外实验结果表明甲烷部分氧化反应时催化剂表面上有吸附物种碳酸根、甲酰基(甲酸盐)和一氧化碳的形成,其中表面的甲酰基和甲酸盐物种是甲烷部分氧化反应的主要活性中间物,这些中间活性中间体由甲烷吸附态CHx和催化剂表面的氧吸附态结合而形成的,随后这种中间物种再分解为CO产物;甲烷和二氧化碳重整反应时没有新的吸附物种产生,由此提出重整反应的机理是吸附态的甲烷和二氧化碳在催化剂活性中心上进行活化解离而生成合成气;甲烷、二氧化碳和氧气耦合反应过程中出现新的羟基物种(桥式羟基Ru-(OH)2),耦合反应机理复杂可能是由部分氧化和重整两类反应机理的复合,其中桥式羟基Ru-(OH)2参与了反应的进行。     

The Microwave Spectrum of m-Tolunitrile: Methyl Internal Rotation and (14)N Nuclear Quadrupole Coupling

The microwave spectrum of m-tolunitrile (3-methylbenzonitrile, m-C(6)H(4)CH(3)CN) has been investigated in the frequency range from 1 to 4 and 8 to 26.5 GHz. The spectra in the two lowest states of internal methyl rotation (m = 0, +/-1) were recorded by means of pulsed molecular beam Fourier transform microwave (MB-FTMW) spectrometers. The interpretation of the spectra was based on an asymmetric frame-symmetric top Hamiltonian with inclusion of centrifugal distortion terms and first-order contributions from (14)N nuclear quadrupole coupling. A least-squares analysis yielded the rotational constants A = 3295.9103(10) MHz, B = 1199.1188(2) MHz, C = 883.9223(1) MHz, all elements of the nuclear quadrupole coupling tensor chi(aa) = -3.626(1) MHz, chi(bb) = 1.684(1) MHz, chi(cc) = 1.943(1) MHz, and chi(ab) = -1.870(3) MHz, as well as the threefold barrier to internal rotation, V(3) = 14.2 cm(-1), and the angle between the internal rotor axis and the principal moment of inertia a axis, θ = 42.66 degrees, using fixed values for the sixfold barrier term V(6) (-11 cm(-1)) and the moment of inertia of the methyl top I(alpha) (3.16 u ?(2)). Copyright 2000 Academic Press.     

The KRb (2)(3)Sigma(+) Electronic State

High-resolution spectra of the (3)(1)Pi --> (2)(3)Sigma(+) system of the KRb molecule, obtained after excitation with fixed frequencies Ar(+) laser lines, were recorded on a Connes-type Fourier transform interferometer. Molecular constants of the first 14 vibrational levels of the (2)(3)Sigma(+) state are determined. The RKR potential energy curve is derived. The main spectroscopic constants for this triplet electronic state of the (39)K (85)Rb isotopic species are T(e) = 13 507.146(2) cm(-1), omega(e) = 48.6385(6) cm(-1), B(e) = 0.0254152(5) cm(-1), gamma = 0.00164(4) cm(-1), epsilon = -0.469(2) cm(-1), R(e) = 4.98345 ?, 𝒟(e) = 3447 cm(-1). Copyright 2000 Academic Press.     

Fully coupled channel approach to doubly strange s-shell hypernuclei

We describe ab initio calculations of doubly strange, S = -2, s-shell hypernuclei (4(LambdaLambda)H, 5LambdaLambda)H, 5(LambdaLambda)He, and 6(LambdaLambda)He) as a first attempt to explore the few-body problem of the full-coupled channel scheme for these systems. The wave function includes LambdaLambda, LambdaSigma, NXi, and SigmaSigma channels. Minnesota NN, D2' YN, and simulated YY potentials based on the Nijmegen hard-core model are used. Bound-state solutions of these systems are obtained. We find that a set of phenomenological B8B8 interactions among the octet baryons in S = 0,-1, and -2 sectors, which is consistent with all of the available experimental binding energies of S = 0,-1, and -2 s-shell (hyper)nuclei, can predict a particle stable bound state of 4(LambdaLambda)H. For 5(LambdaLambda)H and 5(LambdaLambda)He, LambdaN-SigmaN and XiN-LambdaSigma potentials significantly affect the net LambdaLambda-NXi coupling, and a large Xi probability is obtained even for a weaker LambdaLambda-NXi potential.     

Rb(5PJ)与He,N2的碰撞精细结构混合和猝灭

在气体样品池条件下,研究了Rb(5PJ) (He,N2)碰撞能量转移过程.用调频半导体激光器激发Rb原子至Rb(5P3/2)态,在不同的He或N2气压下,测量了直接5P3/2→5S1/2荧光和转移5P1/2→5S1/2荧光.对于Rb(5PJ)与He的碰撞,只发生精细结构转移(略去碰撞猝灭效应),电子态能量仅能转移为He原子的平动能.在与N2的碰撞中,向分子振转态的转移是重要的.本实验中,Rb的密度为4.5×1011 cm-3,由辐射陷获理论得到5P1/2→5S1/2的有效辐射率为2.47×107 s-1.利用速率方程分析,可以得到碰撞转移速率系数,对于He,5P3/2→5S1/2转移速率系数kHe21=2.61×10 12 cm3·s.对于N2,测量5PJ He和5PJ N2两种情况下直接荧光与敏化荧光的相对强度比,利用最小二乘法确定5Pa/2→5S1/2转移速率系数kN212=2.36×10-11 cm3·s,5PJ态猝灭速率系数kN2=1.44×10-11 cm3·s-1.由实验结果证实了Cs-N2主要是直线式碰撞传能机制,与其他实验结果进行了比较.     

PDATS对ps脉冲的光限幅效应

应用脉宽为２１ｐｓ脉冲，波长为５３２ｎｍ的激光脉冲研究了新型光限幅材料５－（２－硫甲基－４－甲基－５－嘧啶基）－２，４－戊二炔－１醇的对甲苯磺酸酯的光限幅效应，其优点是限幅幅值和限幅阈值低，分别为Ｅｃ＝１８０ｍＪ／ｃｍ＾２，Ｅｔｈ＝１５０ｍＪ／ｃｍ＾２；可见了光透射率高。     

High-Resolution Spectrum and Rovibrational Analysis of the nu(2)/nu(5) Dyad of D(3)SiF near 700 cm(-1)

The nu(2) (A(1), 710.157 cm(-1)) and nu(5) (E, 701.717 cm(-1)) fundamental bands of D(3)(28)SiF have been studied by FTIR spectroscopy with a resolution of 2.4 x 10(-3) cm(-1). We assigned 1648 lines for the parallel band (J(max) = 50, K(max) = 21), 4279 for the perpendicular band (J(max) = 52, K(max) = 27), and in addition 671 perturbation-allowed transitions (J(max) = 50, K(max) = 12). The nearly degenerate v(2) = 1 and v(5) = 1 states are linked by (DeltaK = +/-1, Deltal = +/-1) and (DeltaK = +/-2, Deltal = -/+1) interactions, while the l(5) = +/-1 levels of nu(5) interact also by l(2, -1), l(2, 2), and l(2, -4) interactions. The first model with 36 free parameters, taking into account all these resonances through a nonlinear least-squares program, gave standard deviations of 1.56 x 10(-4) cm(-1) for 5997 nonzero-weighted IR data and 138 kHz for 8 MW data from the literature. The second model, in which the main Coriolis term was constrained to a force field value, used 37 parameters and gave similar standard deviations. A new determination of the A(0) and D(0)(K) ground state parameters was performed by two methods: either using differences between "forbidden" transitions differing by 3 in K or letting A(0) and D(0)(K) free in the global fit. The values obtained are fully compatible with those obtained previously by the "loop method." Copyright 2000 Academic Press.     

Torsional Splitting in the Degenerate Vibrational States of (70)Ge(2)H(6): Rotation-Torsion Analysis of the nu(7) and nu(9) Fundamentals

The rotational and torsional structure of the nu(7) and nu(9) degenerate fundamentals of (70)Ge(2)H(6) has been analyzed under high resolution. The torsional structure of both v(7) = 1 and v(9) = 1 states can be fitted by a simple one-parameter formula. The x,y-Coriolis interaction with the parallel nu(5) fundamental was accounted for in the analysis of nu(7). A strong perturbation of the J structure of the E(3s) torsional component of the KDeltaK = -2 subbranches of nu(9) can be explained by the resonance with an E(3s) excited level of the pure torsional manifold. The perturber is centered at 361.58 cm(-1), very close to the value estimated with a barrier height of 285 cm(-1). This confirms that the fundamental torsional wavenumber is close to 103 cm(-1), in good agreement with the "ab initio" prediction. The torsional splittings of all the infrared active degenerate fundamentals, nu(7), nu(8), and nu(9), follow the trend predicted by theory, and have been fitted by exploratory calculations accounting only for the torsional Coriolis-coupling mechanism of all degenerate vibrational fundamentals in several torsional states. This confirms that torsional Coriolis coupling is the dominant mechanism responsible for the decrease of the torsional splitting in the degenerate vibrational states. A higher value of the barrier had to be used for the nu(9) mode. Copyright 2000 Academic Press.     

ⅡB族金属dmit,dmid配合物的傅里叶拉曼光谱研究

通过改变配体结构、改变金属离子等方法研究了ⅡB族金属不对称二硫纶配合物[Me4N]2[MLn(SPh)2](M=Zn,CA;L1=dmit=1,3-二硫盐-4,5-二硫醇盐-2-硫酮盐,L2=dmid=1,3-二硫盐-4,5-二硫醇盐-2-酮盐)和[Bu4N]2[Zn(dmit)2]的固体粉末傅里叶拉曼(FT-Raman)光谱,并对它们进行了逐一比较标识。当配合物中dmit^2-被dmid^2-取代时会使1420cm^-1处C-C峰蓝移38cm^-1。左右;在990cm^-1处的吸收为五元杂环吸收峰,当Zn^2 被Cd^2 取代、dmit^2-被dmid^2-取代后,分别红移11和7cm^-1。在463cm^-1左右以及在300cm^-1左右的谱峰分别为配体dmit^2-或dmid^2-中S2C与CS2骨架上的S-C-S的伸缩振动和变形振动,同样随着dmit^2-被PhS^-取代、Zn^2 被Cd^2 取代而分别红移,但是dmid^2-取代dmit^2-时却使此峰蓝移。配合物中的Cd-S有两处振动峰,一处为硫酚的硫与Cd键的峰,另一处为dmit^2-或dmid^2-上的硫与CA键的峰,分别为180和140cm^-1左右。Zn-S振动峰同样有两种,硫酚的硫与Zn键的峰和dmit^2-或dmid^2-上的硫与Zn键的峰,它们分别在193和155cm^-1左右。     

N = 4 supersymmetric quantum mechanics and its large order behaviour

A model of N = 4 supersymmetric quantum mechanics is shown to have a perturbative expansion for which the large order behaviour is - (3/2)ⁿn!(9/π + 5/n + …). In the space of the coupling constants the supersymmetric case is found to be the dividing point between two different types of large order behaviour. In this way the large order behaviour of supersymmetric theories is special.     

Production of Alfvén waves by a rapidly expanding dense plasma

The expansion of a dense (initially, n(lpp)/n(0)>1) laser-produced plasma into an ambient magnetized plasma ( n(0) = 2 x 10(12) cm(-3)) capable of supporting Alfvén waves has been studied. The interaction results in the production of shear Alfvén waves as well as large density perturbations (Delta n/n(0) approximately 0.3) associated with the moving dense plasma. The waves propagate away from the target and are observed to become plasma-column resonances. Spatial patterns of the wave magnetic fields are measured and are used to estimate the coupling efficiency of the laser energy and the kinetic energy of the dense plasma into wave energy.