CF_3I分子在外电场中的物理和光谱性质研究

CF_3I是公认的用以代替SF6的新型环保绝缘气体,其在外电场中的具体性质的研究至关重要.利用密度泛函理论(DFT),在B3LYP/DGDZVP基组水平上,从分子结构角度研究了CF_3I气体在外电场(-0. 02 a. u.～0. 02 a. u.)作用下的光谱特征和解离特性.计算结果表明,沿C至I方向的电场增强时:C-I键键长单调增大,能隙E_g单调减小;分子总能量先增大后减小,偶极矩先减小后增大;费米能级EF单调减小,但当电场增至C至I方向0. 010 a. u.时,费米能级EF出现局部极大值.外电场对分子红外光谱的影响表现为:沿C至I方向电场强度增大时,四个振动频率红移(包括最高峰),其余两个蓝移.分子的解离特性表现为:沿C至I方向强度超过0. 025 a. u.的电场可使C-I键断裂.以上结果为CF_3I或其与其混合物在外电场下的特性研究提供了参考.     

全固态复合碳纤维氧化钨pH传感器的研制及应用

采用电化学修饰法制备了一种可直接测定固体、半固体及糊状物表面和内部pH值的传感器,并对该传感器的制备工艺、性能、测试条件和干扰物的影响进行了讨论.结果表明:该传感器内阻低,响应时间快(小于25 s),测量范围广(pH 2 ～12),准确度高,重复性好,响应斜率为60.01 mV/pH.该传感器除了能用于传统领域外,还可用于临床检测、食品加工、生物化工等领域.     

CF自由基双光子共振增强多光子电离研究：3pRy dberg态的转动分析

利用Ar/CF4、Ar/CF2Cl2或Ar/CF3COOH混合气体的直流脉冲放电产生CF自由基,观测了260～360nm范围内转动分辨的CF自由基双光子共振增强多光子电离谱。分析表明,该段光 谱对应于CF自由基3pπD2Πr(ν'=2～6,r=3/2,1/2)←←X2Πr(ν"=0,r=3/2,1/2)的共振激发。对观测的振动带进行了转动分析,并获得了3p里德堡态的转动常数和自旋-轨道分裂值。     

关于Lasnev空间的超空间

讨论了Ｌａｓｎｅｖ空间的超空间的某些性质．文中构造一反例，证明存在可数Ｌａｓｎｅｖ空间，其紧子集超空间不是层型空间．并指出文［６］中关于上述结果的证明中有一关键性失误，故［６］中的反例尚不能说明上述结论成立．本文还对具有σ－ＣＦ拟基的ｋ′空间给出一个刻画定理     

Photoionization of CF4 in the VUV region

We present calculated results of photoionization cross sections and photoelectron angular distributions for ionization out of the five outermost valence orbitals of CF₄ for photon energies ranging from near threshold to 55 eV. The Schwinger variational iterative method, using an exact static-exchange plus a model correlation–polarization potential, is applied to obtain the continuum photoelectron orbitals. The quantitative agreement between our calculated results and the experimental data is fair. Moreover, our study is capable of identifying most structures seen in experimental results for both cross sections and asymmetry parameters.     

A (CF)-mapping of integral functional of locally lipschitz functions

We find a (CF)-mapping of the integral functional of locally Lipschitz functions f _t parametrized by . In the process of obtaining a (CF)-mapping, the hypothesis of upper semicontinuity of the set-valued map is needed, where denotes a convexificator of f _t at x. As a corollary of our result, we get (CF)-mappings which are obtained by Clarke subdifferentials and Michel–Penot subdifferentials, respectively. Finally, the examples specifically deriving a convexificator of the integral functional are provided.      

Elastic differential cross sections of electron scattering by CF_4 at intermediate energies

The elastic differential cross sections(DCS)for electron scattering from CF 4 are calculated at six impact energies(in 100—700 eV)employing the independent atom model(IAM)with partial waves. The atoms are presented by a model complex optical potential which is composed of static, exchange, polarization, and absorption terms. The electron density function ρ(r) is obtained by a fitting procedue to the Dirac Hartree Fock Slater sef consistent data. Compared with available experimental data, the presen...     

关于sn可度量空间的注记

具有σ局部有限sn网的空间称为sn可度量空间.本文利用紧覆盖映射、点星网、CF族的概念,给出了sn可度量空间的新刻画.     

CH3OCF2CF2OCH3+Cl的反应机理及动力学性质

利用密度泛函理论直接动力学方法研究了反应CH₃OCF₂CF₂OCH₃+Cl的微观机理和动力学性质. 在BB1K/6-31+G(d,p)水平上获得了反应的势能面信息, 计算中考虑了反应物CH₃OCF₂CF₂OCH₃两个稳定构象(SC1和SC2)的氢提取通道和取代反应通道. 利用改进的正则变分过渡态理论结合小曲率隧道效应(ICVT/SCT)计算了各氢提取通道的速率常数, 进而根据Boltzmann配分函数得到总包反应速率常数(k_T)以及每个构象对总反应的贡献. 结果表明296 K温度下计算的k_T(ICVT/SCT)值与已有实验值符合得很好. 由于缺乏其他温度速率常数的实验数据, 我们预测了该反应在200-2000 K温度区间内反应速率常数的三参数表达式: k_T=0.40×10^-14T^1.05exp(-206.16/T).