Theoretical treatment of ion–molecular charge transfer reactions involving dimer radical ions
Literature Information
Publication Date
2003-05-01
DOI
10.1039/B300112A
Impact Factor
3.676
Authors
View Original
Abstract
For the first time spin evolution of radical ions participating in ion–molecular charge transfer reactions involving dimer radical ion and neutral monomer molecule (dimer–monomer charge transfer reaction) has been studied quantitatively. The peculiarity of the problem is that only a fragment (monomer) of a radical ion is changed in the course of the reaction. For this case the kinetic equations of the encounter theory for spin density matrix of a radical ion have been obtained. Calculations of EPR spectra of radical ions in the presence of dimer–monomer charge transfer reaction have been performed. The cases of small and large hyperfine coupling constants, slow and fast charge transfer reactions have been studied in detail. The shifts and broadening of the EPR spectral lines in these cases have been calculated.
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Source Journal
Physical Chemistry Chemical Physics
CiteScore:
5.5
Self-citation Rate:
10.3%
Articles per Year:
3036
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.
Recommended Compounds
(3beta,7beta,12beta)-3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid
CAS Number:
98665-22-6
Molecular Formula:
C30H44O8
3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (1:1)
CAS Number:
59263-76-2
Molecular Formula:
C15H24ClNO
(1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate
CAS Number:
105379-24-6
Molecular Formula:
C15H21F6N5OP
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