Femtosecond photodecarbonylation of photo-ODIBO studied by stimulated Raman spectroscopy and density functional theory
Literature Information
Learnmore Shenje, Yingqi Qu, Vladimir Popik, Susanne Ullrich
Photo-oxa-dibenzocyclooctyne (Photo-ODIBO) undergoes photodecarbonylation under UV excitation to its bright S2 state, forming a highly reactive cyclooctyne, ODIBO. Following 321 nm excitation with sub-50 fs actinic pulses, the excited state evolution and cyclopropenone bond cleavage with CO release were characterized using femtosecond stimulated Raman spectroscopy and time-dependent density functional theory Raman calculations. Analysis of the photo-ODIBO S2 CO Raman band revealed multi-exponential intensity, peak splitting and frequency-shift dynamics. This suggests a stepwise cleavage of the two C–C bonds in the cyclopropenone structure that is completed within <300 fs after excitation. Evidence of intramolecular vibrational relaxation on the S2 state, concurrent with photodecarbonylation, with dynamics matching previous electronic transient absorption spectroscopy, was also observed. This confirms an excited state, as opposed to ground state, photodecarbonylation mechanism resulting in a vibronically excited photoproduct, ODIBO.
Related Literature
Tensor numerical methods in quantum chemistry: from Hartree–Fock to excitation energies
Boris N. Khoromskij
DOI: 10.1039/C5CP01215E
The new insight into the structure–activity relation of Pd/CeO2–ZrO2–Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysis
X. Yang, L. Yang, J. Lin, R. Zhou
DOI: 10.1039/C5CP06956D
The fabrication of In2O3/In2S3/Ag nanocubes for efficient photoelectrochemical water splitting
Rui Xu, Haohua Li, Wenwen Zhang, Zepeng Yang, Guiwu Liu, Ziwei Xu, Haicheng Shao
DOI: 10.1039/C5CP05833C
Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions
Tomofumi Tada, Kazunari Yoshizawa
DOI: 10.1039/C5CP05423K
A slowing down of proton motion from HPTS to water adsorbed on the MCM-41 surface
Noemí Alarcos, Boiko Cohen, Abderrazzak Douhal
DOI: 10.1039/C5CP04548G
Synthesis of hollow cobalt oxide nanopowders by a salt-assisted spray pyrolysis process applying nanoscale Kirkendall diffusion and their electrochemical properties
Hyeon Seok Ju, Jung Sang Cho, Jong Hwa Kim, Yun Ju Choi, Yun Chan Kang
DOI: 10.1039/C5CP06206C
Micromechanical measurements of the effect of surfactants on cyclopentane hydrate shell properties
Erika P. Brown, Carolyn A. Koh
DOI: 10.1039/C5CP06071K
Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic system
Debdutta Chakraborty, Susmita Kar, Pratim Kumar Chattaraj
DOI: 10.1039/C5CP00995B
A new look at oxide formation at the copper/electrolyte interface by in situ spectroscopies
Cigdem Toparli, Adnan Sarfraz, Andreas Erbe
DOI: 10.1039/C5CP05172J
You might also like
What precautions should be taken when handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-57-1)?
When handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-5...
What are the physical and chemical properties of 5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9)?
5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9) is a crystalline solid ...
How should (2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) be stored?
(2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) should be stored in a c...
What regulatory guidelines apply to Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 362707-24-2)?
Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 3627...
What are the main uses of 1,4-dimethyl-1H-pyrazole-5-sulfonyl chloride (CAS: 1174834-52-6)?
1,4-Dimethyl-1H-pyrazole-5-sulfonyl chloride is primarily used as an intermediat...
Is Dinaphtho[1,2-b:2',1'-d]furan (CAS: 239-69-0) safe?
Dinaphtho[1,2-b:2',1'-d]furan is generally safe when handled with appropriate pe...
What is the market or research trend for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3)?
The market for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3) i...
What are the physical and chemical properties of 2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1)?
2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1) is a colorless or light yello...
How is 2-Methylchrysene (CAS: 3351-32-4) typically synthesized?
2-Methylchrysene (CAS: 3351-32-4) is typically synthesized via the reaction of c...
Is N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) safe?
N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) is generally considered saf...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![2-[2-(2-Methoxyethoxy)ethoxy]-2-methylpropane structure 2-[2-(2-Methoxyethoxy)ethoxy]-2-methylpropane structure](https://static.chemtradehub.com/structs/527/52788-79-1-71c1.webp)


![3-[7-Amino-3-(3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenol structure 3-[7-Amino-3-(3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenol structure](https://static.chemtradehub.com/structs/861/861249-77-6-025b.webp)
