First Observation of the nu(17)-nu(4) Difference Bands of Diborane (10)B(2)H(6) and (11)B(2)H(6)

An analysis of the nu(17)-nu(4) difference bands near 800 cm(-1) of two isotopic species, (10)B(2)H(6) and (11)B(2)H(6), of diborane has been carried out using infrared spectra recorded with a resolution of ca. 0.003 cm(-1). In addition, the nu(17) band of (10)B(2)H(6) has been recorded and assigned. Since this band in (11)B(2)H(6) had already been studied (R. L. Sams, T. A. Blake, S. W. Sharpe, J.-M. Flaud, and W. J. Lafferty, J. Mol. Spectrosc. 191, 331-342 (1998)), it was possible to derive precise energy levels and Hamiltonian constants for the 4(1) vibrational states of both isotopic species. Copyright 2000 Academic Press.     

The Perturbation between the G(1)Pi(g) and 2(1)Delta(g) States of (7)Li(2)

We have observed the rotational levels in the v = 2, 3, 5, 6, 7, and 8 vibrational manifolds of the 2(1)Delta(g) state of (7)Li(2) via the A(1)Sigma(+)(u) intermediate levels by DeltaLambda = 2 transitions. This violation of the DeltaLambda = 0, +/-1 selection rule is due to the interaction with the G(1)Pi(g) state. Band-by-band deperturbations of the G(1)Pi(g) approximately 2(1)Delta(g) (v(Pi), v(Delta)) = (11, 2), (12, 3), (15, 5), (16, 6), (18, 7), and (19, 8) bands have been performed. Deperturbed molecular constants and rotational-electronic interaction parameters are reported here. Copyright 2000 Academic Press.     

Spectroscopy and Intensity Measurements of the 3nu(1)+3nu(3) Tetrad of (12)CO(2) and (13)CO(2)

Three of the four components of the 3nu(1)+3nu(3) tetrad of (12)C(16)O(2) and (13)C(16)O(2), labeled 30031, 30032, and 30033 in HITRAN notation, have been observed by intracavity laser absorption spectroscopy in the 10 450- to 11 000-cm(-1) region. The rotational analysis has yielded the rovibrational parameters of the vibrational states. The experimental values are found to be in very good agreement with the rovibrational energies recently predicted from variational calculations and reduced effective Hamiltonians. The absolute band intensity of these extremely weak transitions have been measured. The study of the relative intensities within the 3nu(1)+3nu(3) tetrad suggests that part of the oscillator strength is carried by the (22(0)3) state. Copyright 2001 Academic Press.     

Absolute Intensities of the nu(1) and nu(3) Bands of (16)O(3)

New experimental data on the nu(1) and nu(3) bands of (16)O(3) improving the value of absolute line intensities have been obtained. The intensities of 295 lines have been measured with an average accuracy between 2.5% and 3% and the rotational expansion of the transition moment operators for the nu(1) and nu(3) bands has been deduced. Finally, a complete listing of line intensities has been computed with an intensity cutoff of 1x10(-25) cm(-1)/molecule cm(-2). Copyright 2001 Academic Press.     

High-Resolution Spectroscopy and Analysis of the nu(3) and nu(4) Fundamentals of Monoisotopic (70)GeF(4)

The first high-resolution study on germanium tetrafluoride is reported. We used a monoisotopic sample of (70)GeF(4). The FTIR spectra of the two infrared active fundamentals, namely the nu(4) (bending) and nu(3) (stretching) modes, were recorded at a temperature of ca. 210 K and a resolution (1/maximum optical path difference) of 0.0031 and 0.0023 cm(-1), respectively. These spectra were analyzed using the STDS software developed in Dijon. In both cases, we obtained a fit with a root mean square better than 1x10(-3) cm(-1). Both bands show very regular structures with no detectable perturbation. Copyright 2001 Academic Press.     

The v(1)+v(3) Bands of the (16)O(17)O(16)O and (16)O(16)O(17)O Isotopomers of Ozone

Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an (17)O enriched ozone sample, an extensive analysis of the v(1)+v(3) bands of the (16)O(17)O(16)O and (16)O(16)O(17)O isotopomers of ozone has been performed for the first time. The experimental rotational levels of the (101) vibrational states were satisfactorily reproduced using a Hamiltonian matrix that takes into account the observed rovibrational resonances. More precisely, for (16)O(17)O(16)O, as for the other C(2v)-type ozone isotopomers, it was necessary to account for the Coriolis type resonances linking the (101) rotational levels with the levels of the (200) and (002) vibrational states and the Darling-Dennison interaction coupling the levels of (200) with those of (002). For the C(s)-type isotopomer, namely (16)O(16)O(17)O, as for (16)O(16)O(18)O and (16)O(18)O(18)O, it proved necessary to also account for an additional DeltaK(a)&equals+/-2 resonance involving the rotational levels from (101) and (002) (J.-M. Flaud and R. Bacis, Spectrochimica Acta Part A 54, 3-16 (1998)). Using a Hamiltonian matrix which takes these resonances explicitly into account, precise vibrational energies and rotational and coupling constants were deduced, leading to the following band centers: v(0)(v(1)+v(3))=2078.3496 cm(-1) for (16)O(17)O(16)O and v(0)(v(1)+v(3))=2098.8631 cm(-1) for (16)O(16)O(17)O. Copyright 2001 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.     

Polarization and fundamental sensitivity of 39K(133Cs)-85Rb-21Ne co-magnetometers

The hybrid optical pumping spin exchange relaxation free(HOPSERF)atomic co-magnetometers make ultrahigh sensitivity measurement of inertia achievable.The wall relaxation rate has a big effect on the polarization and fundamental sensitivity for the co-magnetometer,but it is often neglected in the experiments.However,there is almost no work about the systematic analysis of the influence factors on the polarization and the fundamental sensitivity of the HOPSERF co-magnetometers.Here we systematically study the polarization and the fundamental sensitivity of 39K-85Rb-21Ne and 133Cs-85Rb-21Ne HOPSERF co-magnetometers with low polarization limit and the wall relaxation rate.The 21Ne number density,the power density and wavelength of pump beam will affect the polarization greatly by affecting the pumping rate of the pump beam.We obtain a general formula on the fundamental sensitivity of the HOPSERF co-magnetometers due to shot-noise and the fundamental sensitivity changes with multiple systemic parameters,where the suitable number density of buffer gas and quench gas make the fundamental sensitivity highest.The fundamental sensitivity 7.5355×10^-11 rad·s^-1·Hz^-1/2 of 133Cs-85Rb-21Ne co-magnetometer is higher than the ultimate theoretical sensitivity 2×10^-10 rad·s^-1·Hz^-1/2 of K-21Ne co-magnetometer.     

Torsional Splitting in the nu(5) Fundamental Infrared Band of CH(3)CD(3) and (13)CH(3)CD(3)

The nu(5) fundamental (C-C stretching) of CH(3)CD(3) shows a resolved torsional structure, caused by perturbations due mainly to the linear dependence of the torsional potential barrier on the normal coordinate Q(5). We were able to analyze this structure and to assign vibration-rotation transition wavenumbers for all five torsional components, classified according to the symmetry species of the G(18)((3)) extended molecular group. The torsional splitting pattern is qualitatively similar to that of a nondegenerate vibrational state with an even number of excited torsional quanta v(6). Explorative calculations show that the main perturber system should consist of the torsional components of the vibrational ground state correlating with v(6)=4 in the high barrier limit. The strength of the perturbation on the E(r0) torsional components of nu(5) increases rapidly with r, the E(40) component being the most affected. The observed transition wavenumbers can be reasonably fitted by a simplified model containing independent effective vibration-rotation parameters for the five different torsional components of nu(5), for both CH(3)CD(3) and (13)CH(3)CD(3). The trend of the determined values of the effective vibrational wavenumbers and rotational parameters over the torsional components supports the proposed vibration-torsion interaction mechanism, responsible for the observed torsional splittings. A strong anomaly observed in the rotational intensity distribution of nu(5) is discussed. Copyright 2001 Academic Press.     

Multiple magnetic transitions in single crystals of Ce_(12)Fe_(57.5)As_(41) and La_(12)Fe_(57.5)As_(41)

Measurements of magnetic and transport properties were performed on needle-shaped single crystals of Ce_(12)Fe_(57.5)As_(41)and La_(12)Fe_(57.5)As_(41).The availability of a complete set of data enabled a side-by-side comparison between these two rare earth compounds.Both compounds exhibited multiple magnetic orders within 2-300 K and metamagnetic transitions at various fields.Ferromagnetic transitions with Curie temperatures of 100 and 125 K were found for Ce_(12)Fe_(57.5)As_(41)and La_(12)Fe_(57.5)As_(41),respectively,followed by antiferromagnetic type spin reorientations near Curie temperatures.The magnetic properties underwent complex evolution in the magnetic field for both compounds.An antiferromagnetic phase transition at about 60 K and 0.2 T was observed merely for Ce_(12)Fe_(57.5)As_(41).The field-induced magnetic phase transition occurred from antiferromagnetic to ferromagnetic structure.A strong magnetocrystalline anisotropy was evident from magnetization measurements of Ce_(12)Fe_(57.5)As_(41).A temperature-field phase diagram was present for these two rare earth systems.In addition,a logarithmic temperature dependence of electrical resistivity was observed in the two compounds within a large temperature range of 150-300 K,which is rarely found in 3D-based compounds.It may be related to Kondo scattering described by independent localized Fe 3d moments interacting with conduction electrons.     

Self-diffusion of (31)Si and (71)Ge in relaxed Si(0.20)Ge(0.80) layers

Self-diffusion of implanted (31)Si and (71)Ge in relaxed Si(0.20)Ge(0.80) layers has been studied in the temperature range 730-950 degrees C by means of a modified radiotracer technique. The temperature dependences of the diffusion coefficients were found to be Arrhenius-type with activation enthalpies of 3.6 eV and 3.5 eV and preexponential factors of 7.5 x 10(-3) m(2) s(-1) and 8.1 x 10(-3) m(2) s(-1) for (31)Si and (71)Ge , respectively. These results suggest that, as in Ge, in Si(0.20)Ge(0.80) both (31)Si and (71)Ge diffuse via a vacancy mechanism. Since in Si(0.20)Ge(0.80) (71)Ge diffuses only slightly faster than (31)Si , in self-diffusion studies on Si-Ge (71)Ge radioisotopes may be used as substitutes for the "uncomfortably" short-lived (31)Si radiotracer atoms.     

Stability of (3)He(2)(4)He(n) and (3)He(3)(4)He(n) L=0 clusters

We have studied the stability of mixed (3)He/(4)He clusters in L=0 states by the diffusion Monte Carlo method, employing the Tang-Toennies-Yiu He-He potential. The clusters (3)He(4)He(N) and (3)He(2)(4)He(N) are stable for N>1. The lighter atoms tend to move to the surface of the cluster. The minimum number of 4He atoms able to bind three 3He atoms in a L=0 state is nine. Two of three fermionic helium atoms stay on the surface, while the third one penetrates into the cluster.     

Low thermal expansion and broad band photoluminescence of Zr0.1Al1.9Mo2.9V0.1O12

A new material of Zr0.1Al1.9Mo2.9V0.1O12 is synthesized by the traditional solid state synthesis method.The phase transition,coefficient of thermal expansion,and luminescence properties of Zr0.1Al1.9Mo2.9V0.1O12 are explored with Raman spectrometer,dilatometer,and x-ray diffraction(XRD)diffractometer.The results show that the Zr0.1Al1.9Mo2.9V0.1O12 possesses the strong broad-band luminescence characteristics almost in the whole visible region.The sample is crystallized in a monoclinic structure group of P21/a(No.14)crystallized at room temperature(RT).The crystal is changed from monoclinic to orthorhombic structure when the temperature increases to 463 K.The material has very low thermal expansion performance in a wide temperature range.Its excellent low thermal expansion and strong pale green light properties in a wide temperature range suggest its potential applications in light-emitting diode(LED)and other optoelectronic devices.     

Methods for the measurement of (1)J(NCalpha) and (2)J(NCalpha) from a simplified 2D (13)C(alpha)-coupled (15)N SE-HSQC spectrum

Two methods for the measurement of (2)J(NCalpha) and (1)J(NCalpha) in (15)N/(13)C-labeled small and medium-size proteins are described. The current approach is based on simplified (13)C(alpha)-coupled (15)N HSQC spectra, where the two (2)J(NCalpha) doublets are separated into two subspectra corresponding to the alpha and beta spin states of the residue's own alpha carbon. The displacement of the two (2)J(NCalpha) doublets between the two subspectra provides an accurate value for (1)J(NCalpha). The alpha/beta filtration is achieved by taking the sum and difference of the recorded complementary in-phase and antiphase J-coupled spectra. J-multiplication is utilized in one of the proposed methods. In this method, an additional coupling evolution period, which is incremented in concert with t(1), is included in the pulse sequence making it possible to scale the peak-to-peak separation.     

(4×2) and (2×4) reconstructions of GaAs and InP(001) surfaces

Received: 21 March 1997/Accepted: 12 August 1997     

CO2同位素分子16O12C16O, 16O12C17O, 16O13C17O配分函数研究

本文主要研究了CO2的三种同位素分子16O12C16O , 16O12C17O ,16O13C17O 70 K~6000 K的总内配分函数 (TIPS)。在总内配分函数的计算中, 转动配分函数的计算采用了McDowell的解析式法, 振动配分函数则采用了简谐振动近似(HOA)获得。最后通过将两配分函数乘积近似计算得出TIPS, 并将其70~3000 K的数据和HITRAN04数据进行了比较, 发现所得结果和数据库符合的较好, 且其误差可以近似看成一条直线。并通过对误差的拟合修订了高温区(3000~6000 K)的计算数据, 给出了在高温下的较为准确的TIPS值。     

Charge and spin structure in of YBa(2)Cu(3)O(6.35)

Neutron scattering has been used to measure the charge and spin structure in the highly underdoped superconductor YBa(2)Cu(3)O(6.35). Incommensurate static charge ordering is found that remains at high temperatures. The magnetic pattern is complex with a resonance and incommensurate structure observed at low temperatures. The results clarify the role of striped phases in YBa(2)Cu(3)O(6+x) superconductors.