· Mechanically Interlocked Molecules
One of our main research lines is the synthesis and functionality of mechanically interlocked molecules, mainly rotaxanes. Rotaxanes consist of a linear component that contains bulky groups at the ends and a cyclic one that surrounds the first. The motion control of the components at will is possible, having potential applications in different research fields, such as molecular machinery and catalysis. We focused our efforts in the design of new templates, the study of the reactivity of these compounds, the use of these type of structures in materials, the employ of rotaxanes as catalysts and the complex molecules assembly.
· Synthesis and Reactivity of Ketenimines
Ketenimines are a class of nitrogenated heterocumulenes consists of a C=C=N cumulenic system, containing a central sp-hybridized carbon atom. This atom is critical in conferring high reactivity on the members of these structures, opening a large range of available reaction pathways. Our research includes an exhaustive study of the reactivity of ketenimines and the synthesis of different heterocyclic systems of interest. We focus our research in the study of different types of reactions, such as 4π- and 6π-electrocyclic ring closures, [2+2], [3+2] and [4+2] cycloadditions and 1,n-X and 1,n-H shifts.
Contact: alajarin@um.es
· Computational Chemistry
Computational chemistry is a part of quantum chemistry that uses mathematical models to solve chemical problems. Our research is focused on the computational and theoretical studies of different chemical processes by using DFT methods among others. We are mainly interested in the study on the mechanisms ruling some transformations of (hetero)cumulenes, the modelization of supramolecular structures and the simulation of periodic systems.
