The [3 + 2] cycloaddition (32CA) reactions of phenyl azide with a series of 25 ethylenes of different electronic activation have been studied within Molecular Electron Density Theory (MEDT) at the omega B97X-D/6-311G(d,p) computational level to understand the low reactivity of azides ...
Why are noble gases unreactive? Octet Rule: The octet rule is a statement that atoms "desire" eight electrons in their outermost valence shell. There are some exceptions, but generally the compounds that form from atoms can be predicted by arranging the electrons around the atoms is a way th...
For the moleculeHOFO, why is the lewis structure all single bonds? Lewis Structure: Two atoms form one or more covalent bonds by sharing the same number of valence electron pairs. The goal of this bonding is to achieve a stable noble gas electron configuration for each participating ...
Gas-phase reactivity of sulfate esters and analogs: Why is the sulfur center unreactive?Gas-phase sulfate esters reactivityNucleophilic substitution at S vs CDFT calculationsEnergy profiles of reactionsDynamic hindrance of reaction channelsSulfate esters and analogs are important species in synthetic ...
Why is hafnium so unreactive?: Experimental and theoretical studies of the reaction of Hf+ with methaneBibliography, Theoretical or Mathematical, Experimental/ density functional theorydissociation energiesground stateshafniumion-molecule reactionsmass spectroscopic chemical analysis...