50763-51-4Relevant articles and documents
Radical-Stabilization-Energy - the MMEVBH Force Field
Roth, Wolfgang R.,Staemmler, Volker,Neumann, Martin,Schmuck, Carsten
, p. 1061 - 1118 (2007/10/02)
Making use of the VB method of Malrieu et al. a force field has been developed, which allows to calculate heats of formation of hydrocarbons (conjugated and non-conjugated olefins, radicals and diradicals) with high accuracy.With this method radical stabilization energies (RSE) for a great number of delocalized radicals are calculated and compared with experimental values, derived from shock-tube measurements of dissociation energies or from rotational barriers of substituted olefins.A detailed analysis of the RSE with respect to structure, substituents, strain, and aromaticity is presented. - Key Words: Resonance energy / Heats of formation / Single pulse shock tube / Intrisic rotational barrier
On the Regioselectivity of Coupling of Substituted Allyl Radicals. Steric Versus FMO Control
Pasto, Daniel J.,L'Hermine, Gael
, p. 3259 - 3272 (2007/10/02)
The photo-induced decomposition of substituted-homoallylic 4-nitrobenzenesulfenates produces substituted allyl radicals which undergo dimerization and coupling with the 4-nitrobenzenethiyl radical.The regioselectivity of the dimerization of the allyl redi
DESILYLATION OF ALKENYLTRIMETHYLSILANES
Salimgareeva, I. M.,Zhebarov, O. Zh.,Bogatova, N. G.,Yur'ev, V. P.
, p. 342 - 346 (2007/10/02)
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