ChemInform Abstract: Addition of Phosphoryl Radicals to [76]Fullerene Gives Six Stable Regioisomeric Spin-Adducts: MNDO/PM3 Calculations of Spin Densities

ChemInform ◽  
2010 ◽  
Vol 31 (10) ◽  
pp. no-no
Author(s):  
Oleg G. Kalina ◽  
Boris L. Tumanskii ◽  
Vasilii V. Bashilov ◽  
Anatolii L. Chistyakov ◽  
Ivan V. Stankevich ◽  
...  
Keyword(s):  
Pm3 Calculations ◽  
Spin Densities

Addition of phosphoryl radicals to [76]fullerene gives six stable regioisomeric spin-adducts: MNDO/PM3 calculations of spin densities

1999 ◽  
pp. 2655-2657 ◽  
Author(s):  
Oleg G. Kalina ◽  
Boris L. Tumanskii ◽  
Vasilii V. Bashilov ◽  
Anatolii L. Chistyakov ◽  
Ivan V. Stankevich ◽  
...  
Keyword(s):  
Pm3 Calculations ◽  
Spin Densities

Sterically Crowded Heterocycles. VII. Reduction of Some (Z)-1,3-Diphenyl-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ones as Their Axial Chirality Probe

1996 ◽  
Vol 61 (7) ◽  
pp. 1018-1026 ◽  
Author(s):  
Richard Kubík ◽  
Stanislav Böhm ◽  
Josef Kuthan
Keyword(s):  
Hydroxy Derivative ◽  
Borohydride Reduction ◽  
Axial Chirality ◽  
Pm3 Calculations

Borohydride reduction of titled ketones 1a-1g gave diastereoisomeric mixtures of (Z)-1,3-diphenyl-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ols 2a-2g and 3a-3g in which the former ones prevailed. Only individual racemic products were obtained after borohydride reduction of (E)-1,3-diphenyl-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)-prop-2-en-1-one 4 to corresponding 1-hydroxy derivative 5 and by conversion of (Z)-1-oxo derivative 1a to 1,3-diphenyl-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)propan-1-one (6) with sodium hydrogenselenide. Diastereoselectivity of the borohydride reduction is discussed using the PM3 calculations of the molecules 1a, 2a, 2b, 3a, 3b, 4, 5, and 6.

scholarly journals Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement

2017 ◽  
Vol 46 (46) ◽  
pp. 16004-16008 ◽  
Author(s):  
Petra Vasko ◽  
Juha Hurmalainen ◽  
Akseli Mansikkamäki ◽  
Anssi Peuronen ◽  
Aaron Mailman ◽  
...  
Keyword(s):  
Smiles Rearrangement ◽  
Spin Densities

New hybrid 1,4-thiazine-1,2,3-dithiazolylium salts were prepared via Smiles rearrangement. The cations can be readily reduced to the corresponding stable neutral radicals with delocalised spin densities.

Spin densities in CH2-(CH)3=CH2 radical

1962 ◽  
Vol 12 (11) ◽  
pp. 859-862 ◽  
Author(s):  
R. Lenk
Keyword(s):  
Spin Densities
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