Potential energy curves of enantiotropy reactions in the ground state, the first singlet and the first triplet excited state were calculated by changing on-off bond-length of fulgides point by point. 计算结果表明,俘精酸酐分子在基态时,由于势能面不能重叠而不能发生变色反应;
From the effect of anthracene as a diffusion-controlled quencher of the photoreaction, it is indicated that both excited triplet state and an unquenchable excited singlet state of eosin participated in the sensitized photoreaction. 用三重态猝灭剂&蒽猝灭反应的结果表明,曙红的激发单重态与激发三重态都参与了敏化反应。
The dissociation mechanism of acetone in the n →π~ singlet excited state S_1 ( n,π~) is discussed using the ab initio SCF MO method at UHF/ 3-21G level. 用从头算自洽场方法在3-21G水平上研究了丙酮在n→π~*激发单态(S1(n,π~*))势能表面上的光解反应。
The experimental investigation shows that these two dyes undergo fluorescence quenching in their singlet excited state and the quenching rates ( Kq) by viologen are faster than that by amines. 结果表明,这两个染料在激发单重态经荧光猝灭,被紫精猝灭的速度常数(kq)比被胺猝灭的速度常数大。
It was found that exciplex can be formed between singlet excited state of 9-vinyl anthracene and p-N, N-dimethylamino styrene in various solvents. 测定了9-乙烯基蒽和对-N,N-二甲氨基苯乙烯体系在不同极性的溶剂中的荧光光谱和荧光量子产率。
The excitonic envelop functions for singlet and triplet state are calculated numerically. 数值计算了单态和三重态激子的包络函数;
Optical Limiting in C 60/ PMMA Composite Based on Singlet Excited State Absorption C(60)/PMMA的单重态激发态吸收光限幅研究
, fluorescence quantum yield φ, and total n electronic energy difference between ground state and the first excited singlet state: vF. 荧光量子产率φ与基态、第一激发单重态间的π电子能量差(Eg~π&Ee~π)存在着以下的关系:上述F。
In order to modify hypocrellin A ( HA) while maintaining its excellent sensitivity to singlet oxygen, work has been done to recognise its spectroscopy and electronic excited state properties. 为了对候选光敏剂竹红菌甲素(HA)进行改性并保持其优异的敏化特性,对HA的光谱特性和激发态性质作了进一步的指认。
From the data radiative and nonradiative lifetimes of the first-excited singlet state were calculated. 计算了第一激发单线态辐射和非辐射寿命。
Singlet deuteron intermediate state in D-D four-body breakup reaction(ⅱ) d-d四体破裂反应的单态氘中间过程(Ⅱ)
Structure and Potential Energy Function for the Ground State and the First Excited Singlet State of~ ( 14) NH Radical ~(14)NH自由基基态与第一激发单重态的结构与势能函数
The thermodynamic and kinetic studies have been carried out on the reaction of singlet CCl2 and ozone O3 at 200K-2000K, using statistic thermodynamics and Eyring transition state theory with Wigner correction on the basis of quantum chemistry. 在量化计算的基础上运用统计热力学和Wigner校正的Eyring过渡态理论研究了不同温度下单重态CCl2和臭氧O3反应的热力学及动力学性质。
The "ene" reaction of olefinic hydrocarbon and singlet state oxygen 烯烃与单重态氧的ene反应
A Comparison between the G Values of the Lowest Excited Singlet State of Cyclohexane Measured by Using TBP as Scavenger and by the Fluorescence Method TBP探针法与荧光光谱法测定环己烷最低激发单态G值的比较
The analysis indicates that the nine-dimensional triplet sub-spaces can be divided intos three-dimensional sub-spaces with the same direction of spin respectively, and the dynamical behaviors in each three-dimensional sub-space are similar to that of two-electron singlet state in coupled two-quantum dots driven by AC electric field. 研究表明,自旋三重态九维子空间还可以进一步分解成三个不相耦合的子空间,在每一个子空间中,动力学行为与交变电场驱动的双量子点中双电子的动力学行为相似。
So far, metastable Singlet oxygen is the only electronic excited state molecule that can be efficiently produced simply by a chemical reaction. 单重态氧O2(a1Δg)是迄今唯一能用纯化学反应高效产生的具有长寿命的亚稳激发态分子。
By using tributyl Phosphate ( TBP) as an energy acceptor, G value of lowest excited singlet state of cyclohexane has been determined under γ irradiation. 以磷酸三丁酯为激发分子清除剂,测定了γ辐照下环己烷最低激发单态的G值,并与Lipsky的荧光光谱法的结果进行了比较。
In the process, chloranil firstly was excited to singlet state and then a labile hydrogen abstraction interaction between singlet chloranil and β-diketones was involved to form singlet stable neutral radical pairs ( RP). 光照作用下,四氯苯醌首先跃迁至单线态,然后夺取β二酮类化合物分子中的活泼氢,形成单线态中性自由基对。
The main contents include three aspects: 1. Based on a set of laser manipulation on the trapped ions, we propose an alternative scheme for preparation of singlet state via adiabatic evolutions in the ion-trap system. 主要包括以下三方面工作:1、基于用一系列激光驱动离子,提出了一个利用囚禁离子系统的绝热演化制备singlet态方案。
In the low density region, superconducting pairing of singlet and triplet state will open up a spin energy gap and form a spin gap state. 在电子占据密度较小的区域,单重态与三重态超导配对会打开一自旋能隙,形成一自旋能隙态。
However, in the time domain between the subpulses, the population of the singlet excited state will relax to the lowest triplet state through the ISC process. Thus two subsystems are coupled with each other. 在无脉冲作用时域,被激发到单重激发态的粒子数可以通过系统内交叉过程跃迁至三重态,两个子系统耦合在一起。
Singlet state also has some triplet nature, the decay time becomes much longer. 单线态也带有某些三线态的性质,衰减时间变长。
By solvation experiments and theoretical calculations, It was confirmed that the emission is from the singlet state intramolecular charge transfer. 通过实验和理论计算证实了单线态发射来源于分子内的电荷转移。