A Combined Experimental and Theoretical Study on a Single, Unsupported Oxo-Bridged Mn(III,III) Dimer Coordinated to Two Iminobenzosemiquinone -Radical Anions

2021 ◽  
Author(s):  
Chandan Mukherjee ◽  
PRASENJIT SARKAR ◽  
Ganesh Chandra Paul ◽  
Suvendu Maity ◽  
Amrit Sarmah ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Radical Anions ◽  
Equivalent Amount

Ligand H2LAP was comprised of a non-innocent 2-aminophenol unit and an innocent bis(pyridin-2-ylmethyl)amine unit. The ligand, upon reaction with an equivalent amount of Mn(ClO4)2•6H2O in the presence of Et3N under...

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: 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

On the fragmentation of haloaromatic radical anions and their orbital isomerism. A theoretical study

1994 ◽  
Vol 311 ◽  
pp. 343-352
Author(s):  
Adriana B. Pierini ◽  
José S. Duca ◽  
María T. Baumgartner
Keyword(s):  
Theoretical Study ◽  
Radical Anions

Stability, Metastability, and Unstability of Three-Electron-Bonded Radical Anions. A Model ab Initio Theoretical Study

2002 ◽  
Vol 124 (39) ◽  
pp. 11781-11790 ◽  
Author(s):  
Benoît Braïda ◽  
Lea Thogersen ◽  
Wei Wu ◽  
Philippe C. Hiberty
Keyword(s):  
Ab Initio ◽  
Theoretical Study ◽  
Radical Anions

Structure and Optical Absorption of Oligo(p- and m-phenylenevinylenes) and Their Radical Anions: A Comparative Theoretical Study

1994 ◽  
Vol 98 (46) ◽  
pp. 11892-11901 ◽  
Author(s):  
Stoyan Karabunarliev ◽  
Martin Baumgarten ◽  
Nikolay Tyutyulkov ◽  
Klaus Muellen
Keyword(s):  
Optical Absorption ◽  
Theoretical Study ◽  
Radical Anions
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