CO+彗尾带系（A2Π-X2Σ+）（2,3）带速度调制激光光谱研究

利用差分速度调制分子郭激光光谱技术,首次测量了ＣＯ＾＋彗尾带系（Ａ＾２П－Ｘ＾２Σ＾＋）（２,３）弱带转动吸收光谱,通过对测量谱线的标识,获得了两态的分子常数,其中下态ｖ″的常数未见有文献报导,在锁相放大器１ｓ积分时间下,实验系统的吸收测量灵敏度实测为１．５６×１０＾－６。     

CO三重带系d3Δ-a3Π(4,0)和(5,0)带激光光谱研究

光外差磁旋转浓度调制激光光谱技术属于一种高灵敏度的吸收光谱测量方法 ,可以用于瞬态分子和激发态分子光谱的检测。采用这种技术分别在 16 4 0 0～ 16 6 5 0cm-1和 174 5 0～ 1775 0cm-1波段内直接观测到CO三重带系d3 Δ←a3 Π(4,0 ) (5 ,0 )振转吸收光谱。这种跃迁的上态d3 Δ1(v =4 ) ,d3 Δ2 (v =4 ) ,d3 Δ1(v =5 )分别与A1Π(v =0 ) ,D1Δ(v =0 )和A1Π(v =1)态存在微扰相互作用。通过对所测量到的 CO三重带系 (4,0 ) (5 ,0 )振转谱带作了包含微扰相互作用在内的分析 ,获得了上态d3 Δ(v =4 ,5 )的精确的分子转动光谱常数。     

N2+分子离子A2∏u-X2∑+g 系(2,0)带光外差速度调制光谱

采用光外差速度调制光谱技术研究了N2+分子离子A2∏u-X2∑+g 系(2,0)带转动光谱．由于所用技术的高灵敏度特性，精确地确定了该带310条谱线的频率，其中，那些重叠谱线的频率也通过解谱精确地确定了．利用标准Hamilton量，采用非线性最小二乘方法对该带进行了分析，获得了最精确的分子常数．     

CO分子振转光谱的理论研究

采用从头算的多参考组态相互作用(MRCI)方法并结合基组aug-cc-pCVQZ计算了CO分子基态(X1Σ+)的势能曲线和偶极矩曲线,得到的势能曲线、偶极矩曲线分别与RKR势、文献的偶极矩曲线吻合较好。利用所得的势能,求解双原子分子核运动的Schrdinger方程找到了CO分子X1Σ+态转动量子数J=0时的70个振动态,对于每一振动态,分别计算了其振动能级G(v)、转动惯性常数B_v和离心畸变常数D_v,并把计算结果与已知的42个实验值做了详细比较,结果表明,计算的振动能级G(v)、转动惯性常数B_v、离心畸变常数D_v与实验值符合较好。利用G(v),B_v导出的光谱常数[谐振频率ω_e(2 160.1 cm-1)、非谐振频率ω_eχ_e(13.1 cm-1)、转动常数B_e(1.918 cm-1)、振转耦合常数α_e(0.017 3 cm-1)]也与实验值的光谱常数[ω_e(2 169.8 cm-1),ω_eχ_e(13.3 cm-1),B_e(1.931 cm-1),α_e(0.017 5 cm-1)]较为符合,这在一定程度上证明了方法MRCI/Aug-cc-pCVQZ对CO分子基态性质的计算是合适而可靠的。利用乘积近似方法计算了CO分子在常温、中温、高温时的配分函数,在此基础上,计算了CO分子在T=296 K时的1-0跃迁带的谱线强度,通过比较发现,计算所得的线强度与HITRAN数据库符合较好。进一步计算的CO分子X1Σ+态1-0,2-0,3-0,4-0,2-1,3-1和4-1跃迁带的带强度也与实验值较为吻合,同时首次计算了CO分子X1Σ+态3-2跃迁带、4-2跃迁带的线强度及带强度。     

CO分子d3Δ-a3Π三重带的塞曼调制磁旋转光谱的研究

采用塞曼调制磁旋转光谱技术（ＺｅｅｍａｎＭｏｄｕｌａｔｉｏｎｍａｇｎｅｔｉｃＲｏｔａｔｉｏｎＳｐｅｃｔｒｏｓｃｏｐｙ以下简称ＺＭ－ＭＲＳ）研究ＣＯ分子（ｄ３Δ－ａ３Π）的（５－０）振动带高灵敏度吸收谱。标识出了十二个子带，观察到了下态ａ３Π的Λ双分裂，拟合出了上下态分子常数。     

基于近红外光谱检测猪肉系水力的研究

为了快速无损无污染得测定猪眼肌的系水力,提出了用近红外漫反射光谱检测真空包装猪肉的系水力的新方法.采用常规的滴水损失法和压力法标定猪肉的系水力.利用光谱专用分析软件Unscramb-ler9.6,对采集的光谱进行平滑,二阶微分预处理,用偏最小二乘法(PIS)建立其定量检测模型.该实验的样本总数为106,将样品分为校正集和检验集.用校正集建立定标方程,用检验集检验定标方程的预测精度.常规方法与近红外光谱漫反射法的预测植的相火系数为0.73～0.79,结果明显要好于近红外透射法和反射光谱法.该研究验证了近红外光谱漫反射法对真空包装后鲜猪肉的系水力的无损检测的可行性.     

CO三重带系d^3Δ-α^3∏（4，0）和（5，0）带激光光谱研究

光外差磁旋转浓度调制激光光谱技术属于一种高灵敏度的吸收光谱测量方法，可以用于瞬态分子和激发态分子光谱的检测。采用这种技术分别在16400～16650cm^-1和17450～17750cm^-1波段内直接观测到CO三重带系d^3△←α^3∏(4，0)(5，0)振转吸收光谱。这种跃迁的上态d^3△1(v=4)，d^3△2(v=4)，d^3△1(v=5)分别与A^1∏(v=0)，D^1△(v=0)和A^1∏（v=1)态存在微扰相互作用。通过对所测量到的CO三重带系(4，0)(5，0)振转谱带作了包含微扰相互作用在内的分析，获得了上态d^3△(v=4，5)的精确的分子转动光谱常数。     

氧分子离子第一负带系(b4∑g--a4∏u)(2,6)带的光谱测量与分析

采用光外差-速度调制分子离子吸收光谱技术,在近红外波段13170~13500 cm-1范围内,对氧分子离子第一负带(b4∑g--a4∏u)(2,6)带进行测量和分析,有关第一负带(2,6)带光谱测量尚未见文献报道.本文简述了光外差-速度调制光谱技术的特点,同时给出了对复杂四重态跃迁谱带的分析,运用非线性最小二乘拟合获得了该跃迁上下态精确的分子常数.     

基态SiH~+分子离子光谱常数与振动能级研究

首先根据群论及原子分子反应静力学的相关知识,推导了SiH+分子离子基态X1Σ+的电子态和合理的离解极限。然后采用Gaussian 09程序包中优选出的QCISD(T)方法结合cc-pVQZ基组,对SiH+分子离子基态结构进行了优化计算。运用相同方法对SiH+分子离子基态进行了单点势能扫描,分别采用9参数Murrell-Sorbie函数及Murrell-Sorbie+c6函数进行了非线性最小二乘拟合,首次得到了SiH+分子离子基态的势能函数和相应的光谱常数ωe,ωexe,Be,αe。计算结果表明,利用9参数Murrell-Sorbie函数计算所得的光谱常数与实验光谱数据吻合得更好,相对误差分别为0.13%,3.07%,0.38%,5.25%以及0.52%,这些数据均说明9参数Murrell-Sorbie势能函数能更好地描述SiH+分子离子基态的性质,拟合所得势能曲线准确地再现了其离解能和平衡结构特征。通过求解双原子分子核运动的径向薛定谔方程,首次报道了SiH+分子离子基态在J=0时的振动能级、转动惯量和六个离心畸变常数。为实验上找到对应的跃迁提供了理论依据。     

Study of (1, 4) band in the comet-tail (AΠi-XΣ) system of CO

Ro-vibrational spectrum of the (1, 4) band in the comet-tail system of CO⁺ cation is observed employing the optical heterodyne and magnetic rotation enhanced velocity modulation spectroscopy in the range of 13 189-13 472 cm⁻¹. Two hundred and eighteen spectral lines are assigned to 12 branches of this band for the first time, thus, precise molecular constants of the levels involved are obtained by nonlinear least-squares fitting procedure combining with our previous spectrum of the (1, 2) band.     

A resonant interpretation of gross structure in 12C + 12C and16O + 16O inelastic scattering

A barrier-top-resonance model calculation is found adequate to describe the gross structure behavior thus far observed in ${}^{12}\text{C}\text{+}{}^{12}\text{C and}{}^{16}\text{O}\text{+}{}^{16}\text{O}$ inelastic scattering excitation functions.     

Application of the incoming wave boundary condition to16O+16O and12C+12C elastic scattering

The elastic scattering of¹²C+¹²C and¹⁶O+¹⁶O has been studied in the framework of an incoming wave boundary condition model. Different logarithmic derivatives for the incoming waves have been tested and their effects investigated with the help of Fourier analyses. It is shown that a logarithmic derivative obtained from a JWKB approximation leads to strong absorption of the low partial waves while a logarithmic derivative constant for all partial waves causes reflections. These reflections are necessary to describe the high energy elastic scattering of¹²C+¹²C. The fits thus obtained with shallow real potentials are comparable to those obtained with deep folding potentials. It is shown that not the lowest partial waves, but those within a window just below the grazing angular momentum are most important for the higher energy¹²C+¹²C angular distributions.     

Spins of resonances in the 12C + 16O system

The spins of resonances appearing at 22 MeV c.m. entrance channel energy in the ¹²C + ¹⁶O system are determined. Several inelastic transitions are used and a value of J^π = 15^? is deduced. This value disagrees with a previous J^π = 14⁺ assignment based on elastic scattering, but agrees with the J^π = 15^? value predicted at this energy by a recent microscopic calculation of ¹²C + ¹⁶O scattering.     

IWB analysis of scattering and fusion cross sections for the 12C+12C, 13C+16O and 16O+16O reactions for energies near and below the Coulomb barrier

Calculations are presented of the elastic scattering and fusion cross sections for the astrophysically interesting reactions ¹²C+¹²C, ¹²C+¹⁶O and ¹⁶O+¹⁶O. The calculations are performed using the incoming wave boundary condition (IWB) and a real ion-ion interaction potential. The results are compared with the available experimental data for the energy region near and below the Coulomb barrier. With values of two adjustable potential parameters (the radial position of the l = 0 barrier and the diffuseness) determined by fitting elastic scattering data, good agreement is obtained for the average energy dependence of the ¹²C+¹²C and ¹²C+¹⁶O fusion cross sections. In the case of ¹⁶O+¹⁶O, both the calculated absolute magnitude and the energy dependence of the fusion cross section are inconsistent with the data and this discrepancy is discussed.     

The 19.7 MeV resonance in the system 16O + 12C

The 19.7 MeV structure in the system ¹²C + ¹⁶O is investigated by measuring angular distributions and excitation functions for elastic and inelastic scattering with very high resolution. From a quasi phase shift analysis, it is deduced that the structure is a true resonance with J^π = 14⁺. The deduced small elastic partial width indicates that the structure of this state is intermediate between a molecular and a compound state.     

Comparison of the fusion reactions12C+20Ne and16O+16O near the Coulomb barrier

The partial cross sections of heavy residual nuclei produced in the heavy ion fusion of¹²C+²⁰Ne have been measured atE _c.m.=6–15 MeV viaγ-ray spectroscopy with a Ge(Li) detector. Windowless and recirculating gas target systems have been used. The dominant residual nuclei are²⁴Mg,²⁷Al,²⁸Si,³⁰Si,³⁰P and³¹P, which arise from two- and three-body breakups in the exit channels. The observed excitation functions are smooth in their energy dependence and give no indications for the existence of pronounced resonance structures, in contrast to theoretical predictions. The Coulomb excitation of²⁰Ne served as an intrinsic calibration standard in the determination of absolute partial and total fusion cross sections. The same experimental set-up was also used in the reaction studies of¹⁶O+¹⁶O atE _c.m.=7–14 MeV, going through the same compound nucleus³²S at similar excitation energies. The observed energy dependence in the excitation functions is in good agreement with previous work. The total fusion cross section agrees fairly well with two sets of values reported previously, but deviates significantly from other reported absolute cross section values. The relative evaporation distributions of the residual nuclei are similar for both heavy ion reactions. However, the ratio of their total fusion cross sections deviates from model predictions and suggests that compound nucleus formation does depend on the microscopic structure of the colliding nuclei in the entrance channel. From the observed energy dependence of the above ratio, particularly at subcoulomb energies, geometrical effects in the entrance channel (due to deformed and spherical nuclei) appear to be weak. The astrophysical aspects of the data in the context of late stellar nucleosynthesis are discussed.     

On the mechanism of multifragmentation of12C+16O reactions

The statistical scission model is applied to study the mechanism of multifragmentation of heavy ions induced fission. The Carbon-Oxygen reactions sequentially producing seven alpha particles are studied. Effective variances together with cross sections for alpha particles emitted from these reactions are calculated at different incident energies ranged from 70 MeV up to 350 MeV. The obtained results are in good agreement with previous sequential emission of alpha particles fission model calculations.