Methyl and Silyl Mesolytic Dissociations in the Radical Cations and Radical Anions of But-1-ene, Allylsilane, Hexa-1,3-diene, and Penta-2,4-dienylsilane. CAS−MCSCF and Coupled Cluster Theoretical Study

2003 ◽  
Vol 68 (16) ◽  
pp. 6083-6095 ◽  
Author(s):  
Claudio Carra ◽  
Giovanni Ghigo ◽  
Glauco Tonachini
Keyword(s):  
Theoretical Study ◽  
Radical Cations ◽  
Coupled Cluster ◽  
Radical Anions

Germyl mesolytic dissociations in the allylgermane and penta- 2,4-dienylgermane radical anions. A theoretical study

2007 ◽  
Vol 118 (1) ◽  
pp. 253-264
Author(s):  
Paola Antoniotti ◽  
Claudio Carra ◽  
Andrea Maranzana ◽  
Glauco Tonachini
Keyword(s):  
Theoretical Study ◽  
Radical Anions

Radical anions of quinoxalines (an in situ electron paramagnetic resonance spectroelectrochemical and theoretical study)

2014 ◽  
Vol 19 (1) ◽  
pp. 113-122 ◽  
Author(s):  
Karol Lušpai ◽  
Andrej Staško ◽  
Vladimír Lukeš ◽  
Dana Dvoranová ◽  
Zuzana Barbieriková ◽  
...  
Keyword(s):  
Electron Paramagnetic Resonance ◽  
Theoretical Study ◽  
Radical Anions ◽  
Paramagnetic Resonance ◽  
Electron Paramagnetic

A Theoretical Study of Fulvene Radical Anions

1991 ◽  
Vol 46 (3) ◽  
pp. 247-255 ◽  
Author(s):  
Salim M. Khalil ◽  
Hayfa M. Jarjis
Keyword(s):  
Theoretical Study ◽  
Dipole Moments ◽  
Heats Of Formation ◽  
Geometrical Parameters ◽  
Radical Anions ◽  
Optimization Of Geometry ◽  
Stabilization Effect ◽  
Complete Optimization ◽  
Spin Densities

AbstractMINDO-Forces calculations have been performed, with complete optimization of geometry on fulvene and X-fulvene radical anions, where X is OH, NH2, CH3, NO,2 CN, F, dimethyl and cyclopropyl. A twisted structure with angle 5° was found for fulvene anion. All substituents are stabilizing. The stabilization effect is more pronounced in the case of NO2, and very weak in the case of CH3. It was found that the substituents CH3 and CN show amphielectronic behaviour. Geometrical parameters, heats of formation, dipole moments, electron and spin densities are reported

ChemInform Abstract: Radical Cations and the Radical Anions of Some Weitz-Type S-Donors

ChemInform ◽  
1988 ◽  
Vol 19 (11) ◽  
Author(s):  
F. GERSON ◽  
G. GESCHEIDT ◽  
J. KNOEBEL ◽  
I. MURATA ◽  
K. NAKASUJI
Keyword(s):  
Radical Cations ◽  
Radical Anions

ChemInform Abstract: A Theoretical Study of Fulvene Radical Anions

ChemInform ◽  
2010 ◽  
Vol 22 (26) ◽  
pp. no-no
Author(s):  
S. M. KHALIL ◽  
H. M. JARJIS
Keyword(s):  
Theoretical Study ◽  
Radical Anions

The Radical Cations and the Radical Anions of SomeWeitz-Type S-Donors

1987 ◽  
Vol 70 (8) ◽  
pp. 2065-2072 ◽  
Author(s):  
Fabian Gerson ◽  
Georg Gescheidt ◽  
Jürgen Knöbel ◽  
Ichiro Murata ◽  
Kazuhiro Nakasuji
Keyword(s):  
Radical Cations ◽  
Radical Anions

Pyridyne radical cations produced by photodissociation of Mg˙+(multifluoro-pyridine) complexes: A combined experimental and theoretical study

2007 ◽  
Vol 9 (5) ◽  
pp. 607-615 ◽  
Author(s):  
Hai-Chuan Liu ◽  
Xin-Hao Zhang ◽  
Changsheng Wang ◽  
Yun-Dong Wu ◽  
Shihe Yang
Keyword(s):  
Theoretical Study ◽  
Radical Cations ◽  
Pyridine Complexes
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