State-to-state quantum dynamics of N(~2D)+HD(v=0,j=0) reaction

The N(~2D) + HD(v = 0, j = 0) reaction has been studied by a quantum time-dependent wave packet approach with a second-order split operator on the potential energy surface of Li et al.(Li Y, Yuan J, Chen M, Ma F and Sun M J. Comput.Chem. 34 1686). The rovibrationally resolved reaction probability, vibrationally integral cross section, and differential cross section of the NH + D and ND + H channel are investigated at the state-to-state level of theory. The experimental data of the thermal rate constant of two output channels is very scare, but the sum of the two output channels is in excellent agreement with the experimental data which was reported by Umemoto et al. It may imply that the thermal rate constants of the two output channels are accurate and reliable.     

Analysis of the (0 0 v(3)), v(3) = 1, 2, 3 Vibrotational States of HDSe

High-resolution Fourier transform spectra of HDSe in the region of the 2nu(3) and 3nu(3) bands were recorded and analyzed for five different (M)Se isotopic HDSe species. Energies obtained from rovibrational analyses of the (002) and (003) states, together with those taken of the (001) state from an earlier study [O. N. Ulenov, G. A. Onopenko, N. E. Tyabaeva, H. Bürger, and W. Jerzembeck, J. Mol. Spectrosc. 198, 27-39 (1999)], were used as input information for a "Global Fit" procedure. This fit provided 34 spectroscopic parameters for the HD(80)Se species which reproduced rotational-vibrational transitions of the (001), (002), and (003) states within experimental accuracy. Corresponding analyses were performed for the other (M)Se (M = 82, 78, 77, and 76) species. Copyright 2000 Academic Press.     

^14N^16O分子X^2П3＼2R（1.5）v=0→1及^15N^16O分子X^2П3＼2Q（…

本文采用法拉弟效应的激光磁共振光谱技术，研究了一氧化氮分子＾１４Ｎ＾１６ＯＸ＾２П３／２Ｒ（１．５）ｖ＝０→１和同位素分子＾１５＾１６ＯＸ＾２П３／２Ｑ（１．５）ｖ＝０→跃迁的ＦＬＭＲ光谱，实验给出了样品浓度和信号强度之间的关系及调制磁场强度与ＦＬＭＲ信号强度之间的关系 。     

N BARYONS(S=0,I=1/2)p,N~+=uud;n,N~0=udd

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The rotational spectrum and molecular parameters of ClO in the v=0 and v=1 states

The $\text{J =}\text{9}\text{2}\text{←}\text{7}\text{2}$, ${}^2\text{Π}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$ and ${}^2\text{Π}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$, ground vibrational state transitions of ³⁵ClO and ³⁷ClO and the ${}^2\text{Π}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$, excited vibrational state transitions of ³⁵ClO have been observed in the 164–167 GHz region. Additional measurements have also been made on the $\text{J =}\text{3}\text{2}\text{←}\text{1}\text{2}$ and $\text{J =}\text{5}\text{2}\text{←}\text{3}\text{2}$ transitions of both the ground and excited vibrational states. All measurements were made using millimeter oscillators which were phase locked to harmonics of a Hewlett-Packard microwave spectrometer's X-band source. Λ-doubling splitting of a few ${}^2\text{Π}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ transitions was resolved.When magnetic and nuclear quadrupole hyperfine terms off-diagonal in J and $\text{Ω}$ in the Hund's case (a) representation were included in addition to the usual diagonal terms, an excellent fit to all of our observed transitions resulted. The most significant change from previously determined parameters is the centrifugal distortion constant D for which the values, D₀ = 0.03972(26) MHz for ³⁵ClO, D₀ = 0.03888(32) MHz for ³⁷ClO and D₁ = 0.0395(21) MHz for ³⁵ClO are obtained. Values of 1.56959(1) Å for the equilibrium bond length and 854(7) cm^?1 for the equilibrium vibrational frequency are derived from the measured spectra. In addition, values for the Λ-doubling constant β_p and the quadrupole coupling constant eQq₂ were derived from the measured spectra for the first time.     

Ionization energy values for the transitions NO+,X1Σ+(v′ = 0—34) ← NO,X2 φ (v″, = 0) and molecular constan

High resolution Ne(I)(73.6nm) photoelectron spectroscope measurements provide values of the ionization energies to the first 35 vibrational levels of N     

The N = Z nuclide 74Rb with T,Iπ = 1, 0+

Improved experimental techniques have permitted the observation of the new nuclide ⁷⁴Rb with a half-life of 64.9 ± 0.5 ms, which represents the heaviest self-conjugate nucleus detected until now. The absenceof along-lived isomer indicates that the T = 0 state of ⁷⁴Rb lies a bove the T = 1 state. An upper limit of 10^?3 relative top ⁷⁴Rb can be placed on the yield of the (unobserved) mirror nucleus ⁷³Rb, and it appears likely that the limit of particle stability has been reached. The half-life of ⁷⁵Rb is 17.0 ± 1.0 s.     

0.5 eV时H++D2(v=0,j=0) 反应的微分、积分截面

基于ab initio势能面(KBNN PES)[1],用耦合通道超球坐标理论研究了碰撞能等于0.5 eV时H D2(v=0,j=0)的积分,微分截面.对于反应性碰撞,计算的积分截面表明由于深势阱的存在使得这一绝热反应产物的分布表现出一种近似的统计行为.计算的微分截面反映该体系存在着长寿命的中间络合物;对于非反应性碰撞(传能过程),平动—平动传能过程更有效,且其积分截面随着转动量子数的增大而显著减少.通过反应性碰撞和非反应性碰撞积分截面的比较,发现在低能碰撞情况,非反应性碰撞更容易进行.     

Experimental and quantum dynamical study on an asymmetric insertion reaction: state-to-state dynamics of O(1D) + HD(1Sigmag+, v' = 0, j' = 0)-->OH(Pi, v", N") + D(2S)

Quantum-state-resolved differential cross sections of the O((1)D) + HD --> OH + D reaction at the collision energy of 7.11 kJ/mol has been determined experimentally and theoretically. The results of the time-dependent wave-packet calculations are overall in good agreement with the crossed beam scattering data, providing a benchmark example of an asymmetric insertion reaction at the state-to-state scattering level. The good agreement between experiment and theory suggests that the underlying ground potential energy surface is generally correct and that the nonadiabatic effect involving the electronic excited pathway is apparently small in this system.     

High-Resolution Fourier Transform Spectra of HDSe: The Interacting States (v(1) v(2) v(3))/(v(1) +/- 1 v(2) -/+ 2 v(3)) with 2v(1) + v(2) = 1, 2, 3, and 4

For the first time, high-resolution Fourier transform spectra of HDSe in the region of the three polyads, nu(1)/2nu(2), nu(1) + nu(2)/3nu(2), and 2nu(1)/nu(1) + 2nu(2)/nu(2) + nu(3), have been recorded and analyzed. Combined with an earlier investigation of the nu(2) band, and including estimates for the unobserved "dark" 4nu(2) band, these levels were subjected to a "Global Fit," which makes use of relations between parameters within the different polyads. Since there are five isotopic species present in natural HD(M)Se (M = 82, 80, 78, 77, 76), altogether 34 vibration-rotation bands have been studied in the present contribution. The parameters determined by the Global Fit reproduce upper vibrational-rotational energies of all these bands with accuracies close to experimental precision. Copyright 2000 Academic Press.     

Ionisation energy values for the vibronic transitions from HCl X1 Σ+ (v″ = 0) to HCl+ ionic states X2 Π (v′ = 0

High-resolution Ne (I) (73.6 nm) photoelectron spectroscopic measurements provide values of the ionisation energies to the first 14 vibrational levels     

Theoretical Study of the Collision-Induced Double Transition CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) at 296 K

A procedure is presented for the calculation of the double vibrational collision-induced absorption CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) on the basis of quantum lineshapes computed using an isotropic potential and dipole-induced dipole functions. The linestrengths and energies of the vibration-rotation transitions are treated explicitly for N(2), utilizing the HITRAN database for CO(2). The theoretical absorption profile is compared to recent experimental results. By narrowing the width of the individual lines contributing to the overall absorption profile relative to their values determined for N(2)-N(2) collision-induced absorption, excellent agreement between theory and experiment is obtained. Copyright 2000 Academic Press.     

Radiofrequency, Centimeter-Wave, Millimeter-Wave, and Infrared Spectra of SiHF(3): Investigation of the Ground, v(4) = 1, and v(6) = 1 Vibrational States

The present paper deals with the analysis of the microwave, millimeter-wave, and infrared spectra of (28)SiHF(3) in its ground, v(6) = 1 and v(4) = 1 excited states. The former was observed up to 1055 GHz leading to the determination of one octic centrifugal distortion constant, L(J) = -0.0749(55) μHz. Furthermore the interaction term ||h(3,GS) || = 1.1032(70) mHz has been fitted from splittings of six K = 3 lines. The excited states have been regarded as isolated ones. This enabled fits according the Q-, D-, and QD-reduction schemes proposed by E. I. Lobodenko, O. N. Sulakshina, V. I. Perevalov, and Vl. G. Tyuterev, (J. Mol. Spectrosc. 126, 159-170 (1987)) and further developed by J. K. G. Watson, C. Gerke, H. Harder, and K. Sarka, (J. Mol. Spectrosc. 187, 131-141 (1997)) and Harder (J. Mol. Spectrosc. 194, 145 (1999)). A multiple fit analysis was performed confirming the assumption that the excited states are not affected by intervibrational resonances. Finally the millimeter spectrum of (29)SiHF(3) and (30)SiHF(3) in their ground state was also measured up to 460 GHz and accurate rotational and centrifugal distortion parameters were derived. Copyright 2000 Academic Press.     

Determination of relaxation times of N2 (v=1) level in presence of water vapor

The vibrational kinetics in CO₂-N₂-H₂O and CO-N₂-H₂O mixtures behind a reflected shock were investigated in the temperature range 500–1500°K by measurement of the intensity of the infrared emission of the gas. The vibrational relaxation time of nitrogen after collision with water molecules is obtained. The reasons for the disagreement of the presently available experimental data on the rate of this process are analyzed.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 84–89, June, 1978.     

Bianchi VI0 models in N=2, D=5 supergravity

We investigate Bianchi VI₀ cosmological models containing two interacting scalar fields. These models are derived from a dimensional reduction of theN=2,D=5 supergravity theory. Exact solutions are found and the existence of singularities for them is considered.