ESR spectra and structure of the perchloryl fluoride radical anion (FClO3-): a 33 valence electron radical with C3v symmetry

1981 ◽  
Vol 103 (24) ◽  
pp. 7051-7054 ◽  
Author(s):  
A. Hasegawa ◽  
Ffrancon Williams
Keyword(s):  
Radical Anion ◽  
Valence Electron ◽  
Esr Spectra ◽  
Perchloryl Fluoride

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.

ChemInform Abstract: THE F3NO- RADICAL ANION. ESR SPECTRA, STRUCTURE, AND ITS DISSOCIATION TO F2NO

1981 ◽  
Vol 12 (38) ◽  
Author(s):  
A. HASEGAWA ◽  
R. L. HUDSON ◽  
O. KIKUCHI ◽  
K. NISHIKIDA ◽  
F. WILLIAMS
Keyword(s):  
Radical Anion ◽  
Esr Spectra

Elektronentransfer und Ionenpaar-Bildung, 48 [1] Titrationen von Tetraphenyl-p-benzochinon mit Natrium- und Kaliummetall in aprotischen Lösungen / Electron Transfer and Ion Pair Formation, 48 [ 1 ] Titrations of Tetraphenyl-p-benzoquinone with Sodium and Potassium Metals in Aprotic Solutions

1996 ◽  
Vol 51 (9) ◽  
pp. 1222-1228 ◽  
Author(s):  
Hans Bock ◽  
Markus Kleine
Keyword(s):  
Electron Transfer ◽  
Radical Anion ◽  
Esr Spectra ◽  
Electron Transfer Reaction ◽  
Ion Pair ◽  
Pair Formation ◽  
Reaction Products ◽  
Ion Pair Formation ◽  
Electron Reduction ◽  
Sodium And Potassium

UV/VIS and ESR spectra of electron transfer reaction products in aprotic (cH⊕ < 0,1 ppm) solution can be measured in an especially designed and sealed glass apparatus and provide information on unknown facets of the microscopic pathway through the network of interdependent equilibria. For tetraphenyl-p-benzoquinone in tetrahydrofuran, single-electron reduction by a sodium metal mirror produces a red solution and, unexpectedly, after addition of 2.2.2. cryptand, contact with a potassium metal mirror generates a green (!) one. For both, ESR/ENDOR spectra prove the presence of tetraphenyl-p-benzoquinone radical anion. UV/VIS measurements provide the clue: In the equilibrium revealed by repetetive spectra recording, M·⊖solv + Me⊕solv ⇄ [M·⊖···Me⊖]solv, the radical anion is green (vm = 16900 cm-1) and the contact ion pair red (vm=18900 cm-1 ). On ion pair formation, therefore, the excitation energy of the radical anion increases by 0.25 eV.

Hinderungspotentiale und Resonanzenergien von Nitrosobenzol und seinem Radikalanion / Potential barriers and resonance energies of nitrosobenzene and its radical anion

1970 ◽  
Vol 25 (5) ◽  
pp. 635-638 ◽  
Author(s):  
W. Kaminski ◽  
K. Möbius
Keyword(s):  
Potential Barrier ◽  
Radical Anion ◽  
Esr Spectra ◽  
Resonance Interaction ◽  
Parent Molecule ◽  
Potential Barriers ◽  
Restricted Rotation ◽  
Resonance Energies

For the nitrosobenzene radical anion the potential barrier of restricted rotation has been determined to be Ea = (8.6 + 0.5) kcal/mol. This result was obtained by comparing the ESR spectra of the radical at -78 °C and + 22 °C. The barriers of the radical ion and its neutral parent molecule are equal to the resonance energies of the -C6H5 and -NO fragments, which demonstrates that the restriction of the rotation is mainly due to resonance interaction.

Radikalionen, 62 [ 1—3]Bis(dimethyIamino)dibenzoheptafulven-Radikalkation /Radical Ions, 62 [1—3]Bis(dimethylamino)dibenzoheptafulvene Radical Cation

1984 ◽  
Vol 39 (6) ◽  
pp. 771-777 ◽  
Author(s):  
Hans Bock ◽  
Bernhard Roth ◽  
Jörg Daub
Keyword(s):  
Ionization Potential ◽  
Radical Cation ◽  
Ground State ◽  
Title Compound ◽  
Valence Electron ◽  
Esr Spectra ◽  
Vertical Ionization Potential ◽  
Radical Ions ◽  
Mndo Calculations ◽  
Multiplet Signal

AbstractThe neutral title compound, 8,8-bis(dimethylamino)dibenzo-[a,d]-heptafulvene, exhibits a first vertical ionization potential of only 6.98 eV and, therefore, can also be oxidized by AlCl3 in H2CCl2 solution. The radical cation generated shows a complex multiplet signal pattern, which is assigned based on additional ENDOR measurements. The photoelectron (PE) and ESR spectra of the 112 valence electron molecule are interpreted by “pararneter-optimized” HMO and by geometry-optimized MNDO calculations, which both suggest a non-planar π-type ground state with most of the charge and the spin distributed over the dibenzoheptatriene part of the radical cation.

Effects of Steric Congestion on Stilbene Radical Anions and Dianions:  DFT Calculations in the Interpretation of Stilbene Radical Anion ESR Spectra

1996 ◽  
Vol 61 (19) ◽  
pp. 6739-6743 ◽  
Author(s):  
James E. Gano ◽  
E. Jean Jacob ◽  
P. Sekher ◽  
Girija Subramaniam ◽  
Leif A. Eriksson ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Radical Anion ◽  
Esr Spectra ◽  
Radical Anions
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