...a)(10.10)的arm-chair SWCNT,下方的六边形代表石墨曾再导致 晶格的第一布里渊区;垂直线代表SWCNT 的 电子态 (electronic states)。因为中间的垂直线( 电子态 )与第一布里渊区的对角线重 叠,SWCNT 会显现出金属性。
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It shows that Herzberg-Teller can introduce a change of sign on the chiral response of an electronic excited state, which breaks the usual belief that the sign reversion only occurs with the involvement of different electronic states.
研究表明后者能够导致单一电子态中存在正负两种相反信号,从而引起分子手性响应性质的变化。 这说明对圆二色谱的理论计算如果只考虑垂直跃迁可能导致正负信号出错,振动效应的引入是十分必要的。
参考来源 - 多光子吸收与圆二色光学性质及其电子振动光谱的理论研究·2,447,543篇论文数据,部分数据来源于NoteExpress
比如苯环,也就是最低电子态,远低于第一激发态。
If you have benzene, for example, the lowest electronic state, is quite far below the first excited state.
对于电子能,实际上通常只关心一个电子态,就是最低的那个电子态。
Well, for the electronic case, there's really only one electronic state of interest in general. And that's the lowest state.
再一次,相反地但,最终也达到了极限,或者来看看分子的电子态,对吗?
And again, in the opposite, but also simple limit ends up holding. Or molecular electronic states, right?
The reason that there is increased electron density here is you can see that these two orbitals come together and constructively interfere.
你们可以看到两个轨道,靠在一起相长叠加,这就是为什么中间的电子态密度增加了。
We also need to follow Hund's rule, this is that a single electron enters each state before it enters a second state.
我们也需要遵从洪德规则,这是一个电子在进入第二个态之前,要进入每一个态。
And you have to ask yourself is the energy difference here, the delta E in the electronic states, how does that compare with the E of visible light?
所以我们会问,是由于能量的不同么,例如deltaE在电子能态的不同,那如何把E与可见光联系起来?
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