scholarly journals Multi-state vibronic interactions in the 1,2,3-trifluorobenzene radical cation

2012 ◽  
Vol 137 (22) ◽  
pp. 22A531 ◽  
Author(s):  
Shirin Faraji ◽  
Horst Köppel
Keyword(s):  
Radical Cation ◽  
Vibronic Interactions

Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms

2007 ◽  
Vol 338 (2-3) ◽  
pp. 207-219 ◽  
Author(s):  
Etienne Gindensperger ◽  
Ioan Bâldea ◽  
Jan Franz ◽  
Horst Köppel
Keyword(s):  
Radical Cation ◽  
Vibronic Interactions ◽  
Coupling Terms ◽  
Quadratic Coupling

Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation

2006 ◽  
Vol 329 (1-3) ◽  
pp. 65-75 ◽  
Author(s):  
Ioan Bâldea ◽  
Jan Franz ◽  
Péter G. Szalay ◽  
Horst Köppel
Keyword(s):  
Radical Cation ◽  
Electronic States ◽  
Vibronic Interactions ◽  
Multi Mode

Multistate vibronic interactions in the benzene radical cation. II. Quantum dynamical simulations

2002 ◽  
Vol 117 (6) ◽  
pp. 2657-2671 ◽  
Author(s):  
H. Köppel ◽  
M. Döscher ◽  
I. Bâldea ◽  
H.-D. Meyer ◽  
P. G. Szalay
Keyword(s):  
Radical Cation ◽  
Quantum Dynamical ◽  
Vibronic Interactions ◽  
Dynamical Simulations

The electronic properties of a radical cation salt of bis-ethylenedioxodibenzofuran, [(bEDODBF)5 (AsF6)2(CH2Cl 2)0.2]

1988 ◽  
Vol 49 (4) ◽  
pp. 667-673 ◽  
Author(s):  
S. Söderholm ◽  
J. Hellberg ◽  
G. Ahlgren ◽  
M. Krebs ◽  
J.U. von Schütz ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Radical Cation ◽  
Radical Cation Salt

Effects of Ultrasounds on Neat nitrobenzene

2019 ◽  
Vol 70 (8) ◽  
pp. 3085-3088
Author(s):  
Carmen Eugenia Stavarache ◽  
Yasuaki Maeda ◽  
Mircea Vinatoru
Keyword(s):  
Nitro Group ◽  
Radical Cation ◽  
Reaction Mechanisms ◽  
Diphenyl Ether ◽  
Argon Atmosphere ◽  
Phenyl Radical ◽  
Dissolved Gas ◽  
Decomposition Products ◽  
Oxygenated Compounds ◽  
Phenyl Cation

Neat nitrobenzene was continuously irradiated at two ultrasonic frequencies: 40 and 200 kHz, under air and argon atmosphere, respectively. Samples taken at intervals of 1, 5, 10 and 24 h were analyzed by GC-MS and decomposition products were identified. Possible reaction mechanisms are discussed. Presence of air as dissolved gas leads to oxygenated compounds such as 1,4-benzoquinone, 2,4-dinitrophenol, m-dinitrobenzene while argon inhibits the decomposition of nitrobenzene, especially at sonication times under 5 h. Based on the nature of the compounds identified we advanced a mechanism, involving a divergent splitting of unstable radical cation of NB in air and argon respectively. Thus, under air, the phenyl cation formation is preferred leading to 1,4-benzoquinone nitro-biphenyls and dinitrobenzene, while under argon, the phenyl radical formation seems to be favored, leading to phenol and diphenyl ether. The oxygenated compounds detected under argon clearly are a consequence of the nitro group splitting.

Structure of tetramethylsilane radical cation: an ESR and theoretical study

1991 ◽  
Vol 95 (8) ◽  
pp. 3132-3135 ◽  
Author(s):  
L. Bonazzola ◽  
J. P. Michaut ◽  
J. Roncin
Keyword(s):  
Radical Cation ◽  
Theoretical Study
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