Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation
文献类型：期刊论文
| 作者 | Cheng, Shibo1,2; Song, Peng1,2; Yang, Songqiu1,2; Yin, Hongming1; Han, Keli1 |
| 刊名 | physical chemistry chemical physics
 |
| 出版日期 | 2010 |
| 卷号 | 12期号:31页码:9068-9075 |
| 产权排序 | 1;1 |
| 通讯作者 | 尹鸿鳴 |
| 英文摘要 | the fluorescence and phosphorescence emission studies have been performed to understand the photochemistry of o-nitrobenzaldehyde in solution upon photoexcitation to the first excited singlet state (s-1). the presence of an energy barrier in the s-1-state hydrogen transfer potential energy surface is determined experimentally through the observed dual fluorescence emission, and the barrier height is estimated to be about 84-87 kcal mol(-1) by gradually decreasing the excitation energy. the phosphorescence spectra of o-nba in five different solvents are observed for the first time, providing direct experimental evidence on the existence of triplet manifold in the photoexcitation of o-nba. furthermore, the relative phosphorescence quantum yield is found to be solvent dependent. to get further insights into the dynamic process involved in the photochemistry of o-nba, excited state calculations at the td-b3lyp/6-311+g(d,p) level of theory with the pcm model are accomplished, which strongly support our experimental findings. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; physics |
| 关键词[WOS] | polarizable continuum model ; aromatic nitro-compounds ; gas-phase ; absorption-spectroscopy ; triplet-state ; molecules ; photochemistry ; photolysis ; 2-nitrobenzaldehyde ; 1-nitronaphthalene |
| 收录类别 | SCI |
| 原文出处 | false |
| 语种 | 英语 |
| WOS记录号 | WOS:000280514800045 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/103327]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cheng, Shibo,Song, Peng,Yang, Songqiu,et al. Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation[J]. physical chemistry chemical physics,2010,12(31):9068-9075. |
| APA | Cheng, Shibo,Song, Peng,Yang, Songqiu,Yin, Hongming,&Han, Keli.(2010).Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation.physical chemistry chemical physics,12(31),9068-9075. |
| MLA | Cheng, Shibo,et al."Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation".physical chemistry chemical physics 12.31(2010):9068-9075. |
入库方式： OAI收割
来源：大连化学物理研究所
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