Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl2@(4He)N
Literature Information
Arnau Vilà, Miguel González, Ricardo Mayol
To investigate the quantum dynamics of the relaxation process of excited helium nanodroplets, 4HeN, arising from the photodissociation of Cl2 embedded molecules (B ← X electronic transition), here we have performed a time dependent density functional theory (TDDFT) study considering nanodroplets of different sizes (N = 50, 100, 200, 300 and 500), extending a previous study which was centered on the photodissociation step. The relaxation process takes place in the timescale of several hundred picoseconds and a simple dependence of this process on time has been found. The results have been satisfactorily analyzed in terms of a phenomenological model proposed here and also by applying the Rice–Ramsperger–Kassel (RRK) statistical chemical kinetic model for unimolecular reactions. From what we know, this is the first time that the dynamics of these de-excitation processes has been studied, opening up a window for understanding them. We expect that this work will encourage further research on this little known but interesting phenomenon.
Recommended Journals

Atomization and Sprays

Colloid Journal

Bioorganic & Medicinal Chemistry

Journal of Chemical Sciences

Bioorganic & Medicinal Chemistry Letters

Medicinal Chemistry Research

Cellulose

Herald of the Russian Academy of Sciences

Journal of the Indian Institute of Science

Critical Reviews in Solid State and Materials Sciences
Related Literature
Comprehensive overview of biased pharmacology at the opioid receptors: biased ligands and bias factors‡
Jolien De Neve, Thomas M. A. Barlow, Dirk Tourwé, Frédéric Bihel, Frédéric Simonin, Steven Ballet
DOI: 10.1039/D1MD00041A
Activity-based protein profiling reveals deubiquitinase and aldehyde dehydrogenase targets of a cyanopyrrolidine probe
Nattawadee Panyain, Aurélien Godinat, Aditya Raymond Thawani, Sofía Lachiondo-Ortega, Katie Mason, Sarah Elkhalifa, Lisa M. Smith, Jeanine A. Harrigan
DOI: 10.1039/D1MD00218J
Using NMR to identify binding regions for N and C-terminal Hsp90 inhibitors using Hsp90 domains
Jeanette R. McConnell, H. Jane Dyson, Shelli R. McAlpine
DOI: 10.1039/D0MD00387E
The right tools for the job: the central role for next generation chemical probes and chemistry-based target deconvolution methods in phenotypic drug discovery
DOI: 10.1039/D1MD00022E
Tumor pyruvate kinase M2 modulators: a comprehensive account of activators and inhibitors as anticancer agents
Bhagyashri Rathod, Shivam Chak, Sagarkumar Patel, Amit Shard
DOI: 10.1039/D1MD00045D
The modulatory role of sulfated and non-sulfated small molecule heparan sulfate-glycomimetics in endothelial dysfunction: absolute structural clarification, molecular docking and simulated dynamics, SAR analyses and ADMET studies
Daniel M. Gill, Sabrina A. Shamir, Fiona L. Wilkinson, M. Yvonne Alexander, Marinonio L. Cornelio, Alan M. Jones
DOI: 10.1039/D0MD00366B
You might also like
How should waste containing 6-Chloro-5-(2'-hydroxy-3'-methoxy-4-biphenylyl)-3-(3-methoxyphenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione (CAS: 1346607-05-3) be handled?
Waste containing 6-Chloro-5-(2'-hydroxy-3'-methoxy-4-biphenylyl)-3-(3-methoxyphe...
What are the main uses of (3alpha,5alpha)-3-Hydroxypregnane-11,20-dione (CAS: 23930-19-0)?
(3alpha,5alpha)-3-Hydroxypregnane-11,20-dione is primarily used in the pharmaceu...
What is the market or research trend for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4)?
The market for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4) is ...
Are there alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in synthesis?
Alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in ...
Is N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) safe?
N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) is generally safe...
Are there alternatives to [(4R,5R,6S)-5-hydroxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl dihydrogen phosphate (CAS: 39679-56-6) in synthesis?
Alternative reagents such as other phosphates or similar functional groups can b...
Are there alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-14-5) in synthesis?
There are alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-...
What precautions should be taken when handling Aluminium trihexadecanoate (CAS: 555-35-1)?
When handling Aluminium trihexadecanoate, it is important to use appropriate per...
What is (1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid (CAS: 52188-11-1)?
(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid is a chemical compound ...
Are there alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) in synthesis?
Several alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) can be used in...
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-Methyl-2-propanyl [2-(2-oxa-6-azaspiro[3.3]hept-6-yl)ethyl]carbamate structure 2-Methyl-2-propanyl [2-(2-oxa-6-azaspiro[3.3]hept-6-yl)ethyl]carbamate structure](https://static.chemtradehub.com/structs/141/1415562-38-7-c0a4.webp)


![2-Methyl-2-propanyl (2E)-5-chloro-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]pentanoate structure 2-Methyl-2-propanyl (2E)-5-chloro-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]pentanoate structure](https://static.chemtradehub.com/structs/122/1225232-42-7-ee03.webp)
