Cloração do anisol, tolueno e nitrobenzeno com ácido tricloroisocianúrico (ATCI): aspectos computacionais sobre a reatividade e regiosseletividade

We present in this educational article a theoretical analysis based on DFT/B3LYP 6-311++G (d,p) and ab initio MP2/6-311++G(d,p) computational calculation about the reactivity and the regioselectivity on the chlorination reaction of anisole, toluene and nitrobenzene, using trichloroisocyanuric acid (TICA) as donor of Cl+. The H.O.M.O. / L.U.M.O. energy and N.B.O. atomic charges of various aromatic systems were calculated in ab initio level. The energies of the reagents and intermediaries were calculated using D.F.T.. These results have been presented as a quantitative example for the S E A mechanism, in the undergraduate organic chemistry disciplines.

TTIP vs. BRICS: Consequences on Geopolitics and Internacional Relations of the XXIst. Century

The TTIP is a proposal on negotiations between the EU and the USA in order to create the largest free international trade area by extension, population and volume of trade of all existing ones. In our view, TTIP would be the geoeconomic answer to BRICS (Brazil, Russia, India, China and South Africa), as a comercial, geopolitical and cooperation space in other areas such as the military, in both that TTIP reproduce on a commercial scale the political and military alliance already existing between good part of the EU and USA by the NATO. In this paper we will try to explain why the possible rivalry between TTIP and BRICS would reproduce in the XXIst. Century the schemes of “Cold War” inherited from XXth. Century, that in turn reproduced the geopolitical confrontations arising from the theory of Haltford McKinder pivot area and the traditional opposition between thalassocratic imperialisms (government on the seas and oceans) and tellurocratic imperialisms (government on an enormous portion of emerged land). Likewise, we will try to show why, at a dialectic of States level, the most populated, territorially extensive and with greater amount of resources political societies will be those that have the greatest ability to impose a particular model of international relations and its geopolitical hegemony on a universal scale in response to this viable confrontation between TTIP, plus TTP, vs. BRICS.