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).
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Interactions between DNA and synthetic cationic liposomes. Compression of intermolecular interactions in CS2 crystal
- Abstracts: A theoretical investigation of the interactions between water molecules and ionic liquids. Spintronic transport through polyphenoxyl radical molecules
- Abstracts: Unraveling the surface reactions during liquid-phase oxidation of benzyl alcohol on Pd/A1(sub 2)O(sub 3): An in Situ ATR-IR study
- Abstracts: Orientational melting and reorientational motion in a cubane molecular crystal: A molecular simulation study. Solid-state NMR characterization and determination of the orientational order of a nematogen
- Abstracts: Mode-coupling theory for multiple-time correlation functions of tagged particle densities and dynamical filters designed for glassy systems