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| Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation | |
| Cheng, Shibo1,2; Song, Peng1,2; Yang, Songqiu1,2; Yin, Hongming1; Han, Keli1; Yin HM(尹鸿鳴) | |
| Source Publication | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 2010 | |
| DOI | 10.1039/c002270e |
| Volume | 12Issue:31Pages:9068-9075 |
| Indexed By | SCI |
| Subtype | Article |
| Department | 11 |
| Funding Project | 1101 |
| Contribution Rank | 1;1 |
| WOS Headings | Science & Technology ; Physical Sciences |
| WOS Subject | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| WOS Research Area | Chemistry ; Physics |
| WOS Keyword | POLARIZABLE CONTINUUM MODEL ; AROMATIC NITRO-COMPOUNDS ; GAS-PHASE ; ABSORPTION-SPECTROSCOPY ; TRIPLET-STATE ; MOLECULES ; PHOTOCHEMISTRY ; PHOTOLYSIS ; 2-NITROBENZALDEHYDE ; 1-NITRONAPHTHALENE |
| Abstract | 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. |
| Language | 英语 |
| URL | 查看原文 |
| WOS ID | WOS:000280514800045 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://cas-ir.dicp.ac.cn/handle/321008/103327 |
| Collection | 中国科学院大连化学物理研究所 |
| Corresponding Author | Yin HM(尹鸿鳴) |
| Affiliation | 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 |
| Recommended Citation 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,&尹鸿鳴.(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. |
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