Zur (γ,p)- und (γ,np)-Reaktion am Argon 40

Argon gas has been irradiated with 34 MeV bremsstrahlung. The yields of the reactions A⁴⁰(γ, p) Cl³⁹ and A⁴⁰ (γ, np) Cl³³ were determined relative to C¹²(γ, n) by β-counting. The resulting upper limits for the cross sections integrated to 28 MeV are 160 MeVmbarns for (γ, p), and 35 MeV mbarns for (γ, np). This does not confirm the anomalously high A⁴⁰ (γ, p)-cross section reported in the literature.     

2-(1,2,4-三唑-1-基)-2-(3'',4''-二苯基-噻唑-2''-烯基)苯乙酮的波谱分析

本文合成了2－（1，2，4－三唑－1－基）－2－（3’，4’－二苯基－噻唑－2’－烯基）苯乙酮，对其进行了元素分析,并研究了该化合物的IR、^1HNMR及MS等波谱性质，从而确定了其结构。     

■_(u,d,s)~*→ D_(u,d,s)~*V(V = D_(d,s)~(*-), K~(*-), ρ~-) weak decays

Motivated by the rapid development of heavy flavor physics experiments, we study the tree-dominated nonleptonic ■_(u,d,s)~*→ D_(u,d,s)~*V(V = D_(d,s)~(*-), K~(*-), ρ~-) decays within the factorization approach. The relevant transition form factors are calculated by employing the covariant light-front quark model. Helicity amplitudes are calculated and analyzed in detail, and a very clear hierarchical structure |H-0| ≈ 2|H00| |H0-| ≈ |H| |H0+| ≈ |H++| is presented.The branching fractions are computed and discussed. Numerically, the CKM-favored ■*q→ D_q~*ρ~-and D_q~*D_s~(*-) decays have relatively large branching fractions, ■O(10~(-8)), and could be observed by LHC and Belle-II experiments in the future.     

(n,n)-(2n, 0)碳纳米管异质结的扭转力学特性

相近直径的锯齿型和扶手椅型碳纳米管可以共轴组合形成5-7碳环交替出现的柱形对称异质结. 本文利用分子动力学方法研究了直径相近且等长锯齿型和扶手椅型碳纳米管形成的(n, n)-(2n, 0)结在扭转过程中的扭矩和轴向应力随扭转角度的变化规律以及应力传递过程. 研究发现, (n, n)-(2n, 0)结扭转应变在达弹性限度内不会产生轴向应力, 该效应对基于碳纳米管扭转特性的纳米振荡器件的设计具有重要意义.     

Verhältnis des differentiellen (e,N)- zum totalen (γ,N)-Wirkungsquerschnitt

The ratio of the differential cross section for the (e, N)-process to the total (γ,N) -cross section is derived with the use of the relativistic Coulomb Eigenfunctions for the continuous spectrum. For electric and magnetic dipole transitions the Born approximation, the Coulomb correction, the effect of screening and that of finite nuclear size are calculated. In this angular distribution there should be no interference of electron waves scattered by different multipoles, where the inelastically scattered electrons are detected. Numerical calculations have been done for nuclei withZ=6, 29, and 82 and scattering anglesθ=1Ω, 132Ω, 160Ω and 180Ω of the electron. The result of this theory is compared with the experiments of W.C.Barber et al.     

4-[(E)-2-(3, 4-二甲氧基苯基)乙烯基]苯氧基乙酸乙酯的合成及其NMR研究

以对硝基甲苯、3, 4-二甲氧基苯甲醛为起始原料,经过缩合,还原,重氮化水解,亲核取代反应,最终合成了新的化合物4-[(E)-2-(3, 4-二甲氧基苯基)乙烯基]苯氧基乙酸乙酯,用¹H 和¹³C NMR及多种二维核磁共振谱确定了该化合物的结构,完成了¹H 和¹³C NMR的归属,给出了分子中各氢,碳原子的准确化学位移.     

119Sn Mössbauer, NMR (1H, 13C and 119Sn) and infrared study of tetracoordinated tin(IV) complexes with 4-[((E)-1-{2-hydroxy-5-[(E)-2-(aryl)-1-diazenyl]phenyl}methylidene)amino]benzoates

A series of organotin(IV) complexes of composition R₃Sn[O₂CC₆H₄{N= C(H)C₆H₃-2-OH(N=NC₆H₄R)}-p] (R = Ph or Bz; R = H, 2-CH₃, 3-CH₃, 4-CH₃) have been investigated by ¹¹⁹Sn Mössbauer, ¹H, ¹³C, ¹¹⁹Sn NMR and IR spectroscopic techniques. ¹¹⁹Sn Mössbauer data indicated a distorted tetrahedral geometry for the triphenyltin(IV) complexes while the tribenzyltin complexes exhibit a distorted trigonal bipyramidal coordination geometry with equatorial benzyl groups and the axial positions occupied by an O atom from the carboxylate ligand and the O atom from the water ligand. The ¹¹⁹Sn-NMR chemical shifts confirm that the Sn atom in triorganotin complexes is four-coordinate in CDCl₃ solution.     

Colloquium Spectroscopicum Internationale(CSI ⅩⅩⅩⅤ) Xiamen,China,September 23-27,2007

OFFICIAL SPONSORSNational Natural Science Foundation of ChinaChina Association for Science and TechnologyXiamen Municipal GovernmentORGANIZERSChinese Chemical SocietyChinese Physical SocietyChinese Spectroscopy SocietyXiamen UniversityInternational Scientific Advisory BoardBarnes RM(USA)Bolshov MA(Russia)Brenner IB(Israel)Broekaert J(Germany)de Loos-Vollebregt MTC(Netherlands)Ebdon L(UK)Haraguchi H(Japan)Jiang GB(China)Kawai J(Japan)Kiefer W(Germany)Lee YI(…     

(6aR,11aR)-3-羟基-4,9-二甲氧基紫檀烷分子的晶体结构

从多刺锦鸡儿 (豆科 )中分离得到一个紫檀烷型化合物— (6aR ,11aR) 3 羟基 4,9 二甲氧基紫檀烷 ,通过红外光谱、质谱、核磁共振氢谱、核磁共振碳谱、氢核 氢核相关谱、异核多量子相干谱和异核多键相干谱进行结构鉴定 .其单晶经X射线衍射测试表明 ,该化合物晶体属单斜晶系 ,空间群为P2 1 ,化学式为C1 7H1 6 O5,Mr =3 0 0 .3 0 .晶胞参数为 :a =6.4778(13 ) ,b =12 .63 1(3 ) ,c=8.83 68(18) ,β =95 .80 (3 ) o,V =719.3 (3 ) 3,Z =2 ,Dc=1.3 86Mg/m3,F(0 0 0 ) =3 16,μ =0 .10 2mm- 1 .结构由直接法解出 ,用全矩阵最小二乘法修正 ,最终偏离因子R =0 .0 3 3 2 ,wR =0 .0 862 .该分子由一个苯并吡喃环和苯并呋喃环组成 ,X射线衍射测试表明其绝对构型为顺式紫檀烷型     

Anregungsfunktionen für die (d,p)-, (d,n)-und (d,2n)-Reaktionen an Ce142 bis 11,8 MeV

Total cross sections and excitation functions up to 11·8 MeV have been measured for the Ce¹⁴²(d,p), -(d,n) and -(d, 2n) reactions by the activation method. The cross sections found forE _d=11·8 MeV are 187mb, 54 mb and 535 mb, respectively. By comparing these results with cross sections calculated from the statistical theory of nuclear reactions it can be shown that the (d,p)-reaction and nearly the whole (d,n) -reaction proceed by stripping mechanism.     

2-(N,N-二乙基苯胺-4-基)-4,6-双(3,5-二甲基比唑-1-基)-1,3,5三嗪的电子结构和光物理性质

采用量子化学计算方法研究了2-(N,N-二乙基苯胺-4-基)-4,6-双(3,5-二甲基吡唑-1-基)-1,3,5三嗪(dpbt)聚合物的电子结构和光物理性质，并且用二维实空间和三维实空间分析方法进行理论研究．结果表明, dpbt聚合物的第一激发态为分子内电荷转移激发态，存在较大的电偶极距变化和极化率，其中电偶极距变化与实验数值符合较好，理论计算所得到极化率数值与实验结果一致．S1激发态存在较大的电偶极距变化和极化率会导致非线性光学效应，促使高效的双光子吸收截面的形成．同时对外电场变化时dpbt的激发态性质进行理论研究．     

反,反-和顺,反-2,4-己二烯的简正振动分析

为研究聚乙炔(PA)的分子结构及振动光谱,对反,反-2,4-己二烯(TTHF)和顺,反-2,4-己二烯(CTHE)进行了红外(IR)和拉曼(Raman)光谱的检测和简正振动分析。主要结果如下: (1) TTHE的C_2h分子对称性,导致真观测谱带严格遵守IR-Raman相互排斥规则。而CTHE的分子不对称性,使其并无此现象发生。(2) TTHE和CTHE的简正振动分析都得到了42个非零的计算频率,这是符合3N-6规则的。(3) 计算所得TTHE和CTHE的位能分布值,与我们听做的经验指认吻合得较好。伹TTHE和CTHE的大部分骨架的简正振动模式都是由多个经验模式的贡献,这表明了平面和共轭结构所造成的骨架振动的复杂性。(4) 对TTHE和CTHE进行力场精化,所得计算频率与观测值的平均绝对偏差为14cm~(-1),平均相对偏差为1.8%。     

2, 6-双(2-苯并咪唑)吡啶-乙酸锌的合成和光谱性能

合成了一种新型的蓝光发射材料2,6-双(2-苯并咪唑)吡啶-乙酸锌,并利用元素分析、红外光谱、UV-Vis吸收谱、荧光激发光谱和荧光发射光谱研究了其结构、光学特性、能级结构和发光机理。结果表明,2,6-双(2-苯并咪唑)吡啶-乙酸锌是一种三齿配体的发光材料。在N,N-二甲基甲酰胺(DMF)溶液体系中测定了材料的紫外吸收光谱,2,6-双(2-苯并咪唑)吡啶的吸收峰波长主要为330,344nm;2,6-双(2-苯并咪唑)吡啶-乙酸锌的吸收峰波长主要为346,366nm。禁带宽度为3.01eV,在紫外光激发下,在DMF溶液体系中的荧光发射峰在458nm处,固态荧光发射峰在475nm,均为蓝色荧光,色纯度高,荧光量子效率高,其荧光发射主要来源于长波吸收带,最大波长吸收带对荧光发射贡献最大。有望通过合理的设计运用到有机电致发光器件中去。     

原子间(锂-锂,氟-氟)位能曲线的ab initio计算

使用先进的量子化学ab initio程序MONSTERGAUSS和各种基函数组,在较大的核间距内计算了锂-锂,氟-氟原子间的位能曲线。并采用组态相互作用(CI)方法计算了基态锂分子(Li₂ ¹∑_g⁺)和基态氟分子(F₂ ¹∑_g⁺)的平衡核间距及总能量。计算结果与其它理论和实验结果进行了比较。     

N,N-二(8-羟基-5-喹啉甲基)甘氨酸乙酯的量子化学研究

运用分子轨道理论中的半经验AM1、PM 3方法和Hartree Fock从头算方法 ,通过能量梯度全优化率先计算了新近合成的化合物N ,N 二 (8 羟基 5 喹啉甲基 )甘氨酸乙酯的平衡几何构型、电子结构以及生成热、偶极矩等分子基本性质 ,并联系经典有机电子结构理论进行讨论。三种方法得到的结构参数基本一致 ,和实验测量的晶体结构符合较好。在稳定构型基础上 ,用AM1方法进行正则振动频率分析 ,得到C—C双键、C—N单双键、C—O单双键和羟基OH的振动基频 ,和实验测得的红外光谱特征峰吻合较好     

(p,π-)反应的两核子模型

本文提出了 A（p,π^-）B 反应的两核子模型,给出了反应矩阵元的约化和与核结构的关系.在平面波近似下,计算了入射质子能量为185 MeV 时的¹³C（p,π^-）¹⁴O（O+基态）的微分截面,定性地符合实验结果.     

(S)-N-苄基-2-吡咯烷-α,α-二苯基甲醇的荧光光谱与荧光量子产率

研究了溶剂、酸度、表面活性剂以及温度对(S)-N-苄基-2-吡咯烷-α,α-二苯基甲醇(BPPE)荧光光谱的影响。以L-酪氨酸为参比,测量了BPPE乙醇溶液在不同波长下的荧光量子产率,在最大激发波长245nm下,BPPE的荧光量子产率为0.155。     

Untersuchungen von (d,p)- und (d, α)-Reaktionen an B10 und B11

Investigating reaction mechanisms, angular distributions and cross sections of the reaction B¹⁰(d, p) B¹¹ have been measured in the energy interval from 1,4 to 3,3 MeV of deuteron energy. More detailed measurements than until known have shown, that besides the well known stripping mechanism withl _n =1 contributions of compound nucleus formation are not neglectable. Especially atE _d =2,3 MeV,E _X (C¹²)=27,1 MeV, the effect of a single resonance contributes a great deal to the cross section of the groupsp ₁ andp ₃ . Further angular distributions and yield curves between 1,4 and 3,3 MeV have been measured in the (d, α)-reactions on B¹⁰ and B¹¹, showing quite different behaviour for both target nuclei.     

N,N-二(8-羟基-5-喹啉甲基)甘氨酸乙酯的量子化学研揪

运用分子轨道理论中的半经验AM1、PM3方法和Hartree-Fock从头算方法,通过能量梯度全优化率先计算了新近合成的化合物N,N-二(8-羟基-5-喹啉甲基)甘氨酸乙酯的平衡几何构型、电子结构以及生成热、偶极矩等分子基本性质,并联系经典有机电子结构理论进行讨论.三种方法得到的结构参数基本一致,和实验测量的晶体结构符合较好.在稳定构型基础上,用AM1方法进行正则振动频率分析,得到C-C双键、C-N单双键、C-O单双键和羟基OH的振动基频,和实验测得的红外光谱特征峰吻合较好.