8-羟基喹啉过渡金属配合物电子光谱和二阶非线性光学性质的 DFT研究

使用含时密度泛函理论(TDDFT)B3LYP方法计算了IB, IIB, VIIIB过渡金属与8-羟基喹啉络合(MQ)后, 配合物的电子光谱以及二阶非线性光学性质. 结果表明, 掺杂过渡金属后, 形成络合物的能隙值减小100～150 kJ/mol, 最大吸收波长红移150～200 nm左右. 电子从基态到激发态的跃迁主要为p→p*, n→p*跃迁, 属于LLCT, MLCT过程. IB的络合物MQ以及VIIIB的络合物MQ3表现出良好的非线性光学性质.     

YBa2Cu3Ox超导体的光谱研究

能带是决定固体特性的头等重要的因素。我们用光谱方法对单相YBa₂Cu₂O_x高T。超导体进行了研究,测量了样品的反射-吸收谱、Raman光谱和荧光光谱.其350和500nm吸收带以及390nm,560nm荧光峰来自晶格中Cu⁺发光中心,是跃迁过程¹A_1g(3d¹⁰)-¹E_g和~3E_g(3d⁹4s¹)。其720nm和860nm荧光峰来自Cu²⁺发光中心,是由于自由离子光谱项²D在八面体晶场、正交晶系晶场中分裂为5个能级之间的跃迁。此外,还有一些光谱可能来自晶格中Cu³⁺发光中心,其481cm^-1和551cm^-1声子对说明了312cm^-1处声子对与电子系统是强耦合。     

相对论性核与乳胶(Ag)碰撞中灰粒子的系统研究 *

用描写相对论性核 核碰撞的LUCIAE模型和相应的事件产生器系统地研究了 1 4.6 ,6 0和 2 0 0AGeV的O核、2 0 0AGeV的Si和S核以及 1 1 .6AGeV的Au核与乳胶 (Ag)碰撞中灰粒子产生的平均多重数、多重数分布以及角分布 3个物理量同入射能量、射弹质量及碰撞中心度间的关系 ,还研究了再散射在灰粒子产生机制中的作用 .LUCIAE的这些研究结果与相应的EMU0 1乳胶实验结果都相一致 .     

算术级数中的陈景润定理 *

设N为一充分大的偶数且q≥ 1 ,(l_i,q) =1 (i=1 ,2 ) ,l₁+l₂ ≡N(modq) .证明了方程N =p+P₂ ,p≡l1(modq) ,P₂ ≡l₂ (modq)对区间 1 ,N^1/37中除了ON^1/37log^-5 N个例外的整数q ,都有无穷多解 ,其中p是素数 ,P₂ 为一至多有2个素因子的殆素数 .     

“下愚”最智 “上智”最愚

历代反动派总是宣扬孔老二“上智与下愚不移”的唯心论说教,把它作为“剥削有理”、“压迫有理”的根据。林彪这个地主资产阶级的代理人,为了篡党夺权,复辟资本主义,建立林家法西斯王朝,也鼓吹“上智下愚”的谬论。他把自己吹成“生而知之”的“天才”,以“至贵”、超人自居,污蔑劳动人民“愚昧”、“落后”,只会说“恭喜发财”,只能想“油盐酱醋柴”。     

Light charged particle emission in40Ar induced reactions on68Zn at 14.6, 19.6 and 35 MeV/nucleon

The light charged particles emitted in the⁴⁰Ar+⁶⁸Zn reaction performed at 14.6, 19.6 and 35 MeV/nucleon have been studied inclusively. The energy spectra have been analysed in terms of preequilibrium emission, moving source and coalescence models. A complete coherence between the present data and those obtained separately from heavy fragment studies is achieved. These data are consistent with the onset of projectile fragmentation between 20 and 35 MeV/nucleon correlated with the formation of a highly excited region of the nuclear system inducing light particle emission. The other sources of light particles can be interpreted as statistical and sequential decay of the quasi projectile.     

Photoinduced intramolecular charge separation in donor/acceptor-substituted bicyclohexylidene and bicyclohexyl

The photophysical properties of a bicyclohexylidene (1DA) and a bicyclohexyl (2DA) substituted with an anilino electron donor and a dicyanoethylene electron acceptor have been studied. Quenching of local donor emission is observed for these compounds as well as quenching of the "pseudo-local" acceptor emission. Transient absorption spectra show dialkylanilino-type radical-cation and dicyanoethylene-type radical-anion absorptions. These results show that intramolecular charge separation takes place in 1DA and 2DA. This was corroborated by time-resolved microwave conductivity measurements from which large excited-state dipole moments were found for both 1DA and 2DA. Time-resolved fluorescence spectroscopy revealed that in the charge-separated state in cyclohexane for 2DA, molecular folding takes place on a nanosecond timescale. For 1DA in cyclohexane, either charge separation takes place in a (fully) folded conformation or very rapid (subnanosecond timescale) folding takes place subsequent to charge separation. In addition to this difference in conformational behavior, the presence of the exocyclic double bond between the cyclohexyl-type rings results in efficient quenching of the anilino donor triplet state and acceleration of the charge recombination rate by a factor of 20.     

Eine experimentelle Methode zur Bestimmung des HLB-Wertes von Tensiden

Zusammenfassung Der HLB-Wert einer Tensidmolekel in einer Grenzfläche wird durch die molekulare Verteilung und Orientierung der Molekel in den an dieser Grenzfläche beteiligten Phasen beschrieben. Für die Grenzfläche einer Tensidlösung gegen Luft wird das hydrophilehydrophobe Gleichgewicht durch Filmwaage- und Oberflächenspannungs-Messungen bestimmt.

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Summary The HLB value of a surfactant molecule in an interface is described by the distribution and orientation of the molecules in the phases sharing this interface. For a surfactant solution/air interface the HLB is determined byLangmuir scale and surface tension measurements.

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Résumé La valeur HLB d'une molécule de dérivé tensioactif à une interface est décrite par la répartition et l'orientation des molécules dans les phases intéressées à cette interface. Pour l'interface d'une solution tensio-active/air, l'équilibre hydrophile-hydrophobe est déterminé par pesée du feuil et mesures de la tension superficielle.

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Mit 7 Abbildungen

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Herrn Professor Dr.K. hansen zum 60. Geburtstag gewidmet