| 查看: 361 | 回复: 0 | |||
[求助]
大神，求翻译
|
| The photo-induced ICT of the compounds was supported by the molecular orbital (MO) calculation studies. On the basis of the density functional method at the HF/3-21G level after opti-mizing the structure,14 the highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) of 1B-TPA were obtained, as shown in Fig. 7. The calculation results showed that1B-TPAexhibited the complete separation of the HOMO and the LUMO. The majority of the electron distribution of the HOMO was located on the triarylamine moiety; however, the electron distribution of the LUMO was located on the triphenylethylene moiety. The complete localiza-tion of HOMO and LUMO means the HOMO /LUMO transition becomes a typical photo-induced intramolecular charge transfer transition, which is desirable for the efficient energy transfer. |
回复此楼» 猜你喜欢
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有7人回复
-
同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗
已经有7人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有10人回复
-
天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人）
已经有9人回复
-
有院领导为了换新车，用横向课题经费买了俩车
已经有10人回复
-
AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性
已经有6人回复
-
酰胺脱乙酰基
已经有13人回复
-
有时候真觉得大城市人没有县城人甚至个体户幸福
已经有10人回复