Knowledge Commons of Dalian Institute of Chemical Physics, CAS
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. |
Files in This Item: | There are no files associated with this item. |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment