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Facile Formation of Redox-Active Totally Organic Nanoparticles in Water by In Situ Reduction of Organic Precursors Stabilized through Aromatic–Aromatic Interactions by Aromatic Polyelectrolytes
(Wiley, 2016)
The formation of redox-active, totally organic nanoparticles in water is achieved following a strategy similar to that used to form metal nanoparticles. It is based on two fundamental concepts: i) complexation through ...
Magnetic response of aromatic rings under rotation: aromatic shielding cone of benzene upon different orientations of the magnetic field
(2017)
The induced shielding cone is one of the most characteristic aspects of aromatic species. Herein, we explore its behavior under different orientations of the applied magnetic field by evaluating the overall and dissected ...
On the 13C-NMR chemical shift anisotropy patterns and aromatic character in strained fullerenes: Computational analysis of D6h/D2d-C36 fullerene
(John Wiley and Sons Inc., 2020-09-05)
The NMR characterization of small C36 hollow fullerene exposes a stable cage with structural features based on its strained curved π-surface in a D6h-symmetry. Our results indicate that planar-like aromatic properties of ...
Infinitene as two fused helicoidal trails of fused rings : evaluation of the magnetic behavior of [12]infinitene and anionic species displaying global aromaticity and antiaromaticity
(2023-02-16)
The unique formation of an infinity-shaped carbon backbone made exclusively from fused benzene rings has recently been achieved. The structure of [12]infinitene can be viewed as two fused [6]helicene structures with a ...
Five-Membered aromatic heterocycles in diels-alder cycloaddition reactions: Theoretical Studies as a Complement of the Experimental Researches
(Bentham Science Publishers, 2011-02)
The dienophilic behavior of electron-deficient substituted five-membered aromatic heterocyclices in polar cycloaddition reactions is studied from a theoretical point of view employing the global electrophilicity index to ...
Insights into the role of D-A-π-A type pro-aromatic organic dyes with thieno[3,4-b]pyrazine as A acceptor group into dye-sensitized solar-cells. A TD-DFT/periodic DFT study
(Wiley, 2020)
Time-dependent density functional theory (TD-DFT)/periodic DFT calculations were performed to determine the role of pro-aromatic organic D-A-pi-A type dyes (the NL1-NL17 family) with Thieno[3,4-b]pyrazine (Tpy) as A acceptor ...