Crystal and molecular structure of the N-oxyl radicals 1,2-dihydro-3-oxo-2,2-diphenyl-3H-indole 1-oxyl and 1,2-dihydro-2,2-diphenylquinoline 1-oxyl. Attempted calculation of hyperfine coupling constants by the INDO–SCF–MO method

1980 ◽  
pp. 786-791 ◽  
Author(s):  
Rois Benassi ◽  
Ferdinando Taddei ◽  
Lucedio Greci ◽  
Leonardo Merchetti ◽  
Giovanni Dario Andreetti ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hyperfine Coupling ◽  
Crystal And Molecular Structure ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants

Elektronenreiche Olefine, 1 / Electron Rich Olefins, 1

1988 ◽  
Vol 43 (1) ◽  
pp. 82-88 ◽  
Author(s):  
Hans-Dieter Hausen ◽  
Wolfgang Kaim
Keyword(s):  
Molecular Structure ◽  
Double Bond ◽  
Radical Cation ◽  
Title Compound ◽  
Hyperfine Coupling ◽  
Crystal And Molecular Structure ◽  
Coupling Constants ◽  
Double Bond System ◽  
Bond System ◽  
Molecular Structure Analysis

Abstract Crystal and molecular structure analysis of the electron rich title compound exhibits an undistorted, yet sterically shielded tetra(primary alkyl)-substituted double bond system with alternating anti-periplanar CH2SiMe3 substituents. The diastereotopic methylene protons have been located and their position correlated to the 1HNMR data and to the ESR hyperfine coupling constants of the corresponding radical cation. In contrast to the highly inert all-carbon derivative, tetraneopentylethene, the more electron-rich and more flexible organosilicon title compound reacts with bromine. Close to orthogonal arrangement between the C-C(H2)-Si planes and the ethene plane ensures effective, fourfold σ/π-hyperconjugation.

Theory of hyperfine coupling constants of solvated molecules: Applications involving methyl and ClO2 radicals in different solvents

1996 ◽  
Vol 104 (2) ◽  
pp. 629-635 ◽  
Author(s):  
Berta Fernández ◽  
Ove Christiansen ◽  
Ota Bludsky ◽  
Poul Jo/rgensen ◽  
Kurt V. Mikkelsen
Keyword(s):  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants ◽  
Solvated Molecules
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