Probing the internal competition between alpha- and beta-elimination by fluorine substitution in absorbed ethyl group on Cu(100)

Article Abstract:

The key factors affecting the competition between alpha- and beta-elimination channels adsorbed ethyl groups on a meal surface were examined by fluorine substitution. The destabilizing eclipsed interactions and the stabilizing vicinal hyperconjugation contribute significantly to the transition state energitics in the beta-elimination and alpha-elimination respectively by the judicious alteration of the number and position of the fluorine substituents in the ethyl group bound to Cu(I00).

Substitution reactions, Ethyl compounds

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Deformation of a "rigid" molecule in self-assembled nanostructures

Article Abstract:

A simple spirobifluorene molecule with pseudotetrahedral structure was investigated for its supposed conformational resilience upon adsorption. The molecule stays 'rigid' by keeping one of the original symmetry elements in the two physisorbed states while in an unexpected state, a strong deformation destroyed definitively any symmetry of the molecule.

Methods, Deformations (Mechanics), Deformation, Conformational analysis

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Theoretical analysis of fluorine addition to single-walled carbon nanotubes: Functionalization routes and addition patterns

Article Abstract:

Theoretical investigation on the chemical addition patterns governing the fluorination of single wall carbon nanotubes is presented. Ab initio analysis of the fluorination of small nanotubes concluded that fluorine addition along the nanotube axis direction is favored by a mechanism of carbon framework distortion.

Carbon compounds, Fluorination

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