The transition states and activation barriers of the 1, 3-dipolar cycloadditions of azides with
cycloalkynes and cycloalkenes were explored using B3LYP density functional theory (DFT) …

Xylyl radicals are intermediates in combustion processes since their parent molecules,
xylenes, are present as fuel additives. In this study we report on the photoelectron spectra of …

Ortho-benzyne and 1, 2-azaborinine are related by the formal exchange of the CC triple
bond by the isoelectronic BN unit. The (2+ 2) and (2+ 4) cycloaddition reactions of 1, 2 …

Density functional theory calculations have been used to explore the reaction mechanism of
(4+ 2) and (2+ 2) cycloadditions of benzyne with classical dienes. The results indicate the …

The reaction mechanism and origin of regioselectivity of (2+ 2) cycloadditions of benzyne to
endohedral metallofullerenes M3N@ C80 (M= Sc, Y) were investigated with density …

The stereochemistry of the reaction between cyclopentyne and ethene has been modeled
using statistical methods, based on RRKM theory and a master equation analysis, and by …

The highly diastereoselective synthesis of P-stereogenic phosphinic amides via directed
ortho lithiation (DoLi) of (SC)-P, P-diphenylphosphinic amides with t-BuLi followed by …

[3+ 2] cycloaddition (32CA) reactions of cyclohexyne, a cyclic strained acetylene, with methyl
azide and methoxycarbonyl diazomethane have been studied within the Molecular Electron …

The mechanism of the [2+ 2] cycloaddition reaction of cyclopentyne to ethylene has been
studied using the completely renormalized coupled cluster method with singles, doubles …

The key elimination step for the formation of 3-substituted and 3, 6-disubstituted benzynes
from 2-haloaryllithiums displays a pronounced solvent-dependent regioselectivity. All 2 …