Experimental observation of the unique solvation process along multiple solvation coordinates of photodissociated products
Literature Information
Kaori Fujii, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura
Chemical reaction dynamics in solution are closely related to solvation dynamics, and understanding solvent responses remains a crucial issue in chemistry and chemical biology. In this study, we experimentally and computationally investigated the solvation dynamics along different solvation coordinates of the same molecule: the electronically excited state and ground state of the p-aminophenylthiyl radical generated by the photodissociation of bis(p-aminophenyl)disulfide. Time profiles of the peak shifts from the transient absorption and emission spectra after photodissociation were extracted to discuss the solvent reorganization process in various ionic liquids (ILs) with different viscosities. The absorption peak position of the radical followed common solvation dynamics, shifting to a lower energy with time due to reorganization of the surrounding solvent molecules in response to the charge redistribution and molecular volume change caused by photodissociation. On the other hand, the emission band of the radical did not show a meaningful spectral shift with time. It was also found that the solvation time in the ground state was not strongly dependent on the solvent viscosity. These experimental results deviate from the conventional dynamic Stokes shift theory. To discuss the experimental results, non-equilibrium molecular dynamics simulations were conducted. The spectral shift obtained by MD simulations indicated the existence of a large solvation energy change and solvation dynamics around the radical after the photodissociation. On the other hand, the electronic excitation of the radical brought about a relatively smaller solvation energy change, especially at the long delay time after the photodissociation. These differences might be one of the reasons for the unique experimentally observed solvation dynamics.
Related Literature
Towards an accurate and computationally-efficient modelling of Fe(ii)-based spin crossover materials
Maria Fumanal, Jordi Ribas-Arino, Vincent Robert
DOI: 10.1039/C5CP02502H
Interaction of 4-imidazolemethanol with a copper electrode revealed by isotope-edited SERS and theoretical modeling
Ieva Matulaitienė, Eglė Pociūtė, Zenonas Kuodis, Olegas Eicher-Lorka, Gediminas Niaura
DOI: 10.1039/C5CP01290B
Tuning magnetism by biaxial strain in native ZnO
Chengxiao Peng, Yuanxu Wang, Guangbiao Zhang, Chao Wang, Gui Yang
DOI: 10.1039/C5CP00364D
Electrochemical growth of CoNi and Pt–CoNi soft magnetic composites on an alkanethiol monolayer-modified ITO substrate
D. Escalera-López, E. Gómez, E. Vallés
DOI: 10.1039/C5CP02291F
Temperature-dependent energy levels and size-independent thermodynamics
DOI: 10.1039/C5CP02332G
Can inorganic salts tune electronic properties of graphene quantum dots?
Guilherme Colherinhas, Eudes Eterno Fileti, Vitaly V. Chaban
DOI: 10.1039/C5CP02083B
Stable p-type properties of single walled carbon nanotubes by electrochemical doping
Chang-Soo Park, Cheol Jin Lee, Eun Kyu Kim
DOI: 10.1039/C5CP01667C
Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations
Hidenori Higashi, Takuya Tokumi, Christopher J. Hogan, Jr., Hiroshi Suda, Takafumi Seto, Yoshio Otani
DOI: 10.1039/C5CP01730K
Direct force measurements between silica particles in aqueous solutions of ionic liquids containing 1-butyl-3-methylimidazolium (BMIM)
Valentina Valmacco, Gregor Trefalt, Plinio Maroni, Michal Borkovec
DOI: 10.1039/C5CP02292D
Thermostructural behaviour of Ni–Cr materials: modelling of bulk and nanoparticle systems
Jose M. Ortiz-Roldan, A. Rabdel Ruiz-Salvador, Sofía Calero, Francisco Montero-Chacón, Elena García-Pérez, Javier Segurado, Ignacio Martin-Bragado, Said Hamad
DOI: 10.1039/C5CP01785H
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.











![1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one structure 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one structure](https://static.chemtradehub.com/structs/603/60373-71-9-7dfb.webp)
![(2R,6S)-6-[(Benzyloxy)methyl]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-morpholinecarboxylic acid structure (2R,6S)-6-[(Benzyloxy)methyl]-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-morpholinecarboxylic acid structure](https://static.chemtradehub.com/structs/109/1093085-91-6-3382.webp)

