Structural features of 1,3,5-trifluorobenzene radical anion, as studied by optically detected ESR spectroscopy and quantum chemistry

2013 ◽  
Vol 62 (11) ◽  
pp. 2311-2316 ◽  
Author(s):  
S. V. Blinkova ◽  
M. M. Vyushkova ◽  
L. N. Shchegoleva ◽  
I. V. Beregovaya ◽  
V. A. Bagryansky ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Radical Anion ◽  
Esr Spectroscopy ◽  
Structural Features ◽  
Optically Detected

Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study

2011 ◽  
Vol 41 (2-4) ◽  
pp. 229-238 ◽  
Author(s):  
S. V. Blinkova ◽  
L. N. Shchegoleva ◽  
I. V. Beregovaya ◽  
M. M. Vyushkova ◽  
V. A. Bagryansky ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Radical Anion ◽  
Intramolecular Dynamics ◽  
Optically Detected

Association of radical anion with alkali cations. IV. ESR study of the 4-nitrobenzophenone radical anion

1980 ◽  
Vol 45 (2) ◽  
pp. 369-375 ◽  
Author(s):  
Stanislav Miertuš ◽  
Ondrej Kyseľ
Keyword(s):  
Hyperfine Splitting ◽  
Radical Anion ◽  
Esr Spectroscopy ◽  
Supporting Electrolyte ◽  
Esr Spectra ◽  
Proton Donor ◽  
Alkali Cations

The 4-nitrobenzophenone radical anion prepared by electrolysis was studied by ESR spectroscopy. On the basis of the interpretation of ESR spectra, the conformation of this system was estimated. The effect of the concentration of supporting electrolyte and of the presence of a proton-donor agent (C2H5OH) was examined. It is assumed that changes in hyperfine splitting constants are caused by association.

Stability of radical anions derived from substituted 5-nitrofurans investigated by ESR spectroscopy

1985 ◽  
Vol 50 (7) ◽  
pp. 1594-1601 ◽  
Author(s):  
Jiří Klíma ◽  
Larisa Baumane ◽  
Janis Stradinš ◽  
Jiří Volke ◽  
Romualds Gavars
Keyword(s):  
Radical Anion ◽  
High Stability ◽  
Esr Spectroscopy ◽  
Reaction Path ◽  
Order Reaction ◽  
Second Order ◽  
Radical Anions ◽  
Second Order Reaction ◽  
Unpaired Electron Density ◽  
The Stability

It has been found that the decay in dimethylformamide and dimethylformamide-water mixtures of radical anions in five of the investigated 5-nitrofurans is governed by a second-order reaction. Only the decay of the radical anion generated from 5-nitro-2-furfural III may be described by an equation including parallel first- and second-order reactions; this behaviour is evidently caused by the relatively high stability of the corresponding dianion, this being an intermediate in the reaction path. The presence of a larger conjugated system in the substituent in position 2 results in a decrease of the unpaired electron density in the nitro group and, consequently, an increase in the stability of the corresponding radical anions.

ChemInform Abstract: A Study by ESR Spectroscopy of the Di-tert-butylsilanone Radical Anion

ChemInform ◽  
2010 ◽  
Vol 23 (50) ◽  
pp. no-no
Author(s):  
A. G. DAVIES ◽  
A. G. NEVILLE
Keyword(s):  
Radical Anion ◽  
Esr Spectroscopy

The cis–trans isomerization of the radical anion of biacetyl

1976 ◽  
Vol 54 (23) ◽  
pp. 3637-3640 ◽  
Author(s):  
A. John Elliot ◽  
Jeffrey K. S. Wan
Keyword(s):  
Radical Anion ◽  
Esr Spectroscopy ◽  
Solvent Composition ◽  
Trans Isomers ◽  
Trans Isomerization

The equilibrium between the cis and the trans isomers of the biacetyl radical anion has been studied by esr spectroscopy. The dependence of this equilibrium on the solvent composition and temperature was followed.

scholarly journals Electronic and molecular structure relations in diiron compounds mimicking the [FeFe]-hydrogenase active site studied by X-ray spectroscopy and quantum chemistry

2017 ◽  
Vol 46 (37) ◽  
pp. 12544-12557 ◽  
Author(s):  
Ramona Kositzki ◽  
Stefan Mebs ◽  
Nils Schuth ◽  
Nils Leidel ◽  
Lennart Schwartz ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Quantum Chemistry ◽  
Active Site ◽  
Structural Features ◽  
X Ray

X-ray spectroscopy and DFT on diiron complexes revealed correlations of spectroscopic, electronic, and structural features.

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