OH分子基态（X2Π）的结构与势能函数

采用密度泛函理论的B3LYP方法和二次组态相互作用(QCISD(T))方法优化计算了OH分子基态(X²Π)的平衡结构、振动频率和离解能.根据原子分子反应静力学原理，导出了OH分子基态(X²Π)的合理离解极限，采用最小二乘法拟合Murrell-Sorbie函数得到了相应的势能函数和与该基态相对应的光谱常数(B_e，α_e，ω_e和ω_eχ_e)，计算结果与实验数据符合得相当好. 关键词： OH分子 2Π)')" href="#">基态(X²Π) 势能函数     

Rotational analysis of the (3, 6) band in the comet-tail (AΠi -XΣ) system of CO

The direct observation and rotational analysis of the (3, 6) band in the comet-tail (A²Π_i-X²Σ⁺) system of CO⁺ are carried out for the first time employing optical heterodyne and magnetic rotation enhanced velocity modulation spectroscopy. That 193 lines are assigned to this band ranging from 12 100 to 12 370 cm⁻¹ results in most accurate molecular constants by nonlinear least-squares fitting procedure employing the effective Hamiltonians.     

High-resolution emission spectroscopy of the AΠ–XΣ system of AlH

The emission spectrum of the A²Π–X²Σ⁺ system of the AlH⁺ ion was investigated in the range of 27 000–29 000 cm⁻¹ by using a conventional spectroscopic technique. The AlH⁺ molecules were formed and excited in an aluminium hollow-cathode lamp with two anodes, filled with a mixture of Ne carried gas and a trace of NH₃. The emission from the discharge was observed with a plane grating spectrograph and recorded by a photomultiplier tube. The full rotational structure of the 0-0 and 1-1 bands has been observed for the first time (12 branches up to J″ = 36.5) and many new constants of the X²Σ⁺ state have been derived from the analysis. For the A²Π, v = 0 and 1 state a considerable irregularities of the Λ-doubling have been observed. The most reasonable explanation for this anomaly is an interaction with unstableness rotational levels of X²Σ⁺ state and perturbing of the A²Π state by the nearly lyingB²Σ⁺ state.     

On Π-Supplemented Subgroups of a Finite Group

A subgroup H of a finite group G is said to satisfy Π-property in G if for every chief factor L/K of G, |G/K: N_G/K(HK/K ∩ L/K)| is a π(HK/K ∩ L/K)-number. A subgroup H of G is called Π-supplemented in G if there exists a subgroup T of G such that G = HT and H ∩ T ≤ I ≤ H, where I satisfies Π-property in G. In this article, we investigate the structure of a finite group G under the assumption that some primary subgroups of G are Π-supplemented in G. The main result we proved improves a large number of earlier results.     

Lifetimes of rovibrational levels of the long-range I′ 1Πg state of H2 and D2: experiment and theory

The lifetimes of the lowest lying rovibrational levels of the outer well I′ ¹Π_g state of molecular hydrogen were measured for both H₂ and D₂. The measurements were made by direct observation of the time-dependent decay of the fluorescence. The observed lifetimes depend on isotopomer and increase with vibrational excitation. The predominant decay route for these levels is fluorescence. Previously published ab initio lifetimes calculated for these states, which accounted for non-adiabatic interactions [J. Chem. Phys. 92, 7461 (1990)], are in good agreement with experiment for H₂ but are too long by four or five orders of magnitude for D₂. We present new ab initio results at the adiabatic level for the fluorescence lifetimes. The current results are in reasonable agreement with the experimental lifetimes for both H₂ and D₂. We explain the isotopomer and vibrational dependence of the lifetimes and discuss the neglected interactions and decay pathways.     

p-Hypercyclically embedding and Π-property of subgroups of finite groups

Let G be a finite group, E a normal subgroup of G and p a fixed prime. We say that E is p-hypercyclically embedded in G if every p-G-chief factor of E is cyclic. A subgroup H of G is said to satisfy Π-property in G if |G∕K:N_G∕K((H∩L)K∕K)| is a π((H∩L)K∕K)-number for any chief factor L∕K in G; we say that H has Π*-property in G if H∩O^π(H)(G) has Π-property in G. In this paper, we prove that E is p-hypercyclically embedded in G if and only if some classes of p-subgroups of E have Π*-property in G. Some recent results are extended.     

用微扰增强双共振对Na2 2 3 Πg和 3 3 Πg能级进行新观测

The Ω = 0,1,2 levels of the Na2 2 3Πg and 3 3Πg states in the energy region between 34860 cm-1 above the Te of the ground state and the 3s+3d atomic limit have been probed by pulsed laser perturbation facilitated optical-optical double resonance（PFOODR）spectroscopy. Strong mixing of these two states has been observed. The Tv and Bv values are given for the Ω = 0 component without deperturbation.     

Global analysis of the Comet-tail system of 12C16O＋

A global analysis of the ro-vibrational spectra of 19 bands in the comet-tail (A2Πi-X2Σ+) system of the 12C16O+ cation is presented, and the precise molecular constants of the vibrational levels involved are obtained via a weighted nonlinear least-squares fitting procedure. Furthermore, the resultant precise equilibrium molecular constants enable us to achieve accurate Rydberg-Klein-Rees (RKR) potential curves for both the A and X states, yielding the accurate Franck-Condon factor and band origin of each band in this system.     

New spectroscopic studies of the Comet-Tail (AΠi-XΣ) system of the CO molecule

In the electronic emission spectrum of the ¹²C¹⁶O⁺ molecule, 11 bands of the Comet-Tail (A²Π_i-X²Σ⁺) system have been recorded and analyzed. Spin splitting in most of the observed lines of the 0-2, 1-0, 2-0, 2-1, 3-0, 4-0, 4-2, 6-0, 7-0, 7-1, and 8-1 bands, comprising nearly 3400 lines, has been recorded under high resolution by conventional spectroscopy. The rotational analysis of bands has been performed by nonlinear least-squares procedures and by means of effective Hamiltonians of Brown et al. and the rovibronic structure parameters have been obtained. The data of bands of the A-X system and earlier analyzed bands of the B-X and B-A systems have been merged together. As a result of this global fit, the state of information about the energy structure has been significantly enlarged for the A state and enlarged and improved for the X state. Also RKR potential curves for both states and Franck-Condon factors as well as r-centroids of the Comet-Tail system of CO⁺ have been calculated.