So, which orbital would we take an electron out of if we were ionizing this atom here? 那么,如果我们要电离这个原子,应该拿走那个轨道上的电子?
But unlike the case with boron where we had an empty p orbital, we're actually going to have an electron in the p orbital of carbon as well. 但和硼里面有个空的p轨道不同,我们实际上有一个电子,在碳里p轨道里也有电子。
So what that means is that we're limited in any atom to having two electrons per orbital, right, because for any orbital we can either have a spin up electron, a spin down electron, or both. 这意味着在一个原子内,每个轨道上可以有两个电子,对吧,因为对任何轨道,我们可以有自旋向上或者自选向下或者两者都有。
It makes sense that it's going to come out of the highest occupied atomic orbital, because that's going to be the lowest amount of energy that's required to actually eject an electron. 从最高占据轨道上,去掉一个电子是合理的,因为这样是发射一个电子,所损失的最低能量。
Effect of the π-orbital inclination angle on single-walled carbon nanotubes ′ electron property π轨道倾角对单壁碳纳米管电子性质的影响
Information about the shadow of the electron orbital as seen by the traveling electron wave is imprinted on the ultraviolet emission. 藉由行进中的电子波所获得关于电子轨道投影的资讯,会包含在辐射出的紫外线中。
So, the size still for an s orbital is larger than for a d orbital, but what we say is that an s electron can actually penetrate closer to the nucleus. 轨道的尺寸比,p轨道还是要大,但我们说的是s轨道可以,穿透到更接近原子核的地方。
The results of natural bond orbital population analysis revealed that there was charge-transfer in the complex formation, and acetic acid acted as electron acceptor during this transformation. 用自然键轨道分析表明,以上两种复合物形成过程中均伴随着电荷转移现象,整体上醋酸分子作为电荷受体而存在。
So again, this is an anti-bonding orbital, and what you see is that there is now less electron density between the two nuclei than there was when you had non-bonding. 同样的,这是反键轨道,你们看到当你有反键轨道的时候,两个原子核中间的电子密度更小了。
CIS calculations and natural bond orbital charge population analysis indicated that the photoexcitation of the electron donor acceptor complex would lead to a charge transfer absorption, and the hydrogen bonding effect yielded a blue shift of this absorption. 利用CIS/631++G方法研究了溶剂与溶质分子间形成氢键对激发态的影响.自然键电荷分析表明,电子给受体复合物的S0→S1跃迁导致一个电子从电子给体转移到受体。
A new method for the explaining of electrocyclic reaction Orbital conversion electron filling 电环化反应选择性规律的一种新解释&轨道转化-电子填充法
Applying the natural bond orbital population analysis and molecular orbital analysis, we investigated the electron population of ground and excited states and the transition properties. 采用自然键轨道电荷分布分析和分子轨道分析等方法,研究了基态和激发态的电荷分布变化以及电子跃迁的性质。
Frontier molecular orbital theory consideration for electron transfer process across sulfide mineral-solution interface 硫化矿-溶液界面电子转移的前线分子轨道理论讨论
What ′ s more, the study on molecular orbital implied that the electron transition from the electron donators to electron acceptors of conjugate system resulted in their visible absorption maxima. 分子轨道的研究表明,这些化合物的最高可见吸收波长主要对应着共轭体系中给电子体到受电子体的电子跃迁。
Atomic-Orbital Energies and Atomic Electron Configuration 能级图与原子的电子构型
According to the classification of free radicals, the Character of the molecular orbital occupied by the unpaired electron was presented. 提出按未完成对电子占据的分子轨道特性对自由基系统进行分类。
Search for heavy neutrinos in orbital electron capture 在轨道电子俘获中寻找重中微子
The conductance characteristics of the pentacene molecular tap with the metal electrodes has been researched theoretically by considering only one π orbital electron per carbon atom. 在考虑到Pentacene分子的碳原子中的唯一个活跃的π电子的情况下,从理论上研究了两端接有金属电极的Pentacene分子带的Ballistic传导特性。
Based on the hybridized orbital theory and electron partnership theory, a method for predicting molecular geometries is proposed Using it, the geometries of molecules with AB_n can be predicted simply and correctly. 本文研究的预测分子空间构型的方法是以杂化轨道理论为基础,根据电子配对原理,简明、准确地预测ABn型分子的空间构型。
Actually, due to the contraction of the orbital, the state with lower energy in a multiplet has the larger electron repulsion energy but also by far the most negative electron-nuclear attraction enery. 实际上由于轨道收缩,具有较低能量的状态有较大的电子排斥能,但也有远大于电子排斥能的电核吸引能。
Investigated of Valence Orbital Electron Structure for C_4H_10 C4H(10)分子的价电子的结构研究
A top of circumfluent current is introduced, which can effectively demonstrate that the orbital magnetic moment of electron precesses in the external magnetic field, and the existence of eddy current the corresponding analysis is given. 给出一种可有效地演示电子轨道磁矩在外磁场中的进动规律的环电流陀螺,以及演示涡流存在的导体陀螺,并给出了相应分析。
A calculation of the energy for spin orbital interaction in D3 electron systems d~3电子系中自旋轨道相互作用能量矩阵的计算
Based on molecular orbital method and LCAO-MO, the text computes the molecular orbital wave function with the Huckel molecular orbital method, gets the six π bond electron ′ s eigenfunction and eigenvalue of benzene. 本文在分子轨道法和分子轨道的原子线性组合法的基础上采用huckel近似,对苯环的分子轨道波函数进行了计算,得出了苯环的6个π键的原子轨道波函数和本征值。
It is found that the conjugated plane made up of the amine group and benzene ring is of the active position, and HOMO and LUMO of eight compounds are π-molecular orbital with lone pare electron. 研究表明,这些添加剂胺基和苯环形成的共轭平面构成了活性部位,其HOMO和LUMO均为π-分子轨道。
Especially, taking both σ and π orbitals into account, one electron energy levels, those symmetries and π orbital occupancies as well as electron excitation energies for different select rules, cohesive energy, ionization energies and electronic affinity forces were calculated. 同时考虑σ-轨道和π-轨道,计算了一个电子能量级、对称性、π-轨道包含率、电子激发能量、凝聚能量、离子化能量以及电子亲和力。
By molecular orbital analysis, the sequence of LE and CT has changed with the increasing ability of electron donor or the decreasing ability of electron acceptor. 通过分子轨道分析发现,在电子给体部分至少要增加3个以上的甲基取代氢才会改变分子内电子转移的顺序;受体的吸电子能力逐渐减小时将改变分子内电子转移的顺序。
In this thesis, a series of organic semiconductor materials with different orbital energy have been designed and synthesized. The electronic transport properties of these molecules have been tailored to give desired electron transport properties. 1. 本文设计并合成了一系列具有不同能级的有机半导体材料,有效的地控制了系列分子的电学传输性能,为有机电子传输材料的设计提供了崭新的思路。