| 查看: 744 | 回复: 5 | |||
[求助]
激发态计算
|
| 问题是这样的，一篇文章写到excited at 340nm，那我做计算的话，激发态是不是该选与这个值比较接近的root来做激发态的优化，进而计算荧光？而不去考虑计算中的谐振强度f的大小。也就是说已经有了实验激发波长的话该如何计算荧光呢？在此先谢过各位了。 |
回复此楼» 猜你喜欢
推荐几个靠谱的文献网站？
已经有1人回复
-
夏威夷大学生物胶体与界面实验室诚招全奖博士生和博士后
已经有1人回复
-
物理化学论文润色/翻译怎么收费?
已经有126人回复
-
求助立方晶体In(OH)3的CIF卡片
已经有2人回复
-
[电子教材]天津大学物理化学（第七版）上、下册
已经有2人回复
-
半透性容器进行高湿或者低湿研究
已经有0人回复
-
阴离子交换膜电解二氧化碳还原
已经有0人回复
-
九江学院2026年最新高层次人才招聘公告
已经有0人回复
-
深圳信息职业技术学院2026年教师招聘公告（最新）
已经有0人回复
2楼2011-12-26 01:28:13
3楼2011-12-26 16:43:25
【答案】应助回帖
感谢参与，应助指数 +1
|
in the experiment, we usaually use single excitation to irradiate the sample to get the emission spectrum, such as flourescence and phosphorescence. In this case, I will calculate the UV-Vis absorption of the ground state molecule to see if there is overlap between the calculated absorption band and exictation light at 340nm. I believe there is. The phosphorescence is the emission spectrum from triplet state T1 to ground state. so, no matter what the excitation light you used, if there is phosphorescence emission, the spectrum should be the same for the same molecule. this is my 2 cents. |
4楼2011-12-28 00:24:38
5楼2011-12-28 19:27:45
【答案】应助回帖
|
The absorption and emission of light direct correlate to the energy differences between the state. Think about how can you get the full uv-vis absorption spectrum from calculation for a molecule. For emission, we match the first excitation to the experimental data. (I might be wrong.) If you read something about dual photon excitation, that will give you a better understanding to your question. |
6楼2011-12-28 21:56:10
