Electronic relaxation and dissociation dynamics in formaldehyde: pump wavelength dependence
Literature Information
Simon P. Neville, Philippe Lassonde, Chen Qu, Hikaru Fujise, Mizuho Fushitani, Joel M. Bowman, François Légaré, Heide Ibrahim
The effect of the incident UV pump wavelength on the subsequent excited state dynamics, electronic relaxation, and ultimate dissociation of formaldehyde is studied using first principles simulation and Coulomb explosion imaging (CEI) experiments. Transitions in a vibronic progression in the à ← absorption band are systematically prepared using a tunable UV source which generates pulses centered at 304, 314, 329, and 337 nm. We find, both via ab initio simulation and experimental results, that the rate of excited state decay and subsequent dissociation displays a prominent dependence on which vibronic transition in the absorption band is prepared by the pump. Our simulations predict that nonadiabatic transition rates and dissociation yields will increase by a factor of >100 as the pump wavelength is decreased from 337 to 304 nm. The experimental results and theoretical simulations are in broad agreement and both indicate that the dissociation rate plateaus rapidly after ≈2 ps following an ultrafast sub-ps rise.
Related Literature
Probing the thermal stability and the decomposition mechanism of a magnesium–fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations
Matteo Aramini, Johannes Niskanen, Daniele Pontiroli, Abdurrahman Musazay, Michael Krisch, Mikko Hakala, Simo Huotari
DOI: 10.1039/C5CP07783D
Swelling of ionic microgel particles in the presence of excluded-volume interactions: a density functional approach
Arturo Moncho-Jordá
DOI: 10.1039/C5CP07794J
Extreme population inversion in the fragments formed by UV photoinduced S–H bond fission in 2-thiophenethiol
Rebecca A. Ingle, Tolga N. V. Karsili, Gregg J. Dennis, Michael Staniforth, Vasilios G. Stavros, Michael N. R. Ashfold
DOI: 10.1039/C6CP01593J
Synthesis and spectral measurements of sulphonated graphene: some anomalous observations
Susmita Maiti, Somashree Kundu, Debasmita Ghosh, Somrita Mondal, Chandra Nath Roy, Abhijit Saha
DOI: 10.1039/C5CP05799J
Theoretical predictions of structures in dispersions containing charged colloidal particles and non-adsorbing polymers
Fei Xie, Martin Turesson, Clifford E. Woodward, Kitty van Gruijthuijsen, Anna Stradner, Jan Forsman
DOI: 10.1039/C5CP07814H
Isolation of pristine MXene from Nb4AlC3 MAX phase: a first-principles study
Avanish Mishra, Pooja Srivastava, Hiroshi Mizuseki, Kwang-Ryeol Lee, Abhishek K. Singh
DOI: 10.1039/C5CP07609A
Molecular structure and vibrations of NTCDA monolayers on Ag(111) from density-functional theory and infrared absorption spectroscopy
Phil Rosenow
DOI: 10.1039/C5CP06619K
Understanding the electromagnetic interaction of metal organic framework reactants in aqueous solution at microwave frequencies
Juliano Katrib, Paula A. Palade, Neil R. Champness, Samuel W. Kingman
DOI: 10.1039/C5CP05426E
Large-size nanosheets of 9,10-bis(phenylethynyl)anthracene with high photoresponse and light emission anisotropy
Hong-Dan Peng, Jia-Mei Yang, Jing-Hui Yan, Ge-Bo Pan
DOI: 10.1039/C5CP05507E
Indented Cu2MoS4 nanosheets with enhanced electrocatalytic and photocatalytic activities realized through edge engineering
Bang-Bao Chen, De-Kun Ma, Qing-Ping Ke, Wei Chen, Shao-Ming Huang
DOI: 10.1039/C5CP07900D
You might also like
What are the main uses of 1-(3-Aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea (CAS: 155412-88-7)?
This compound is mainly used as an intermediate in the synthesis of antipsychoti...
How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?
Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...
What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?
2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...
What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?
N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...
What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?
5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...
What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?
When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...
What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?
Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...
What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?
4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...
What precautions should be taken when handling (S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate (CAS: 1007881-98-2)?
Handling this compound should be done with personal protective equipment (PPE) i...
What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?
When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...
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.













![tert-Butyl N-[(2-chloropyridin-4-yl)methyl]carbamate structure tert-Butyl N-[(2-chloropyridin-4-yl)methyl]carbamate structure](https://static.chemtradehub.com/structs/916/916210-27-0-9f95.webp)
