We concentrate on creating innovative synthesis and functionalization methods for carbon nano-onions (CNOs) and other advanced materials. These materials have great potential for use in supercapacitors, fuel cells, and molecular electronics. Additionally, we investigate their interactions with biomolecules and biopolymers to develop new materials for biosensors, bioremediation, tissue engineering, and other advanced biomedical and environmental uses.
The hydrazone functional group is essential in our design and synthesis of molecules with multiple dynamic properties. We aim to create systems that respond reversibly to various stimuli, including light, heat, metal ions, and pH. This forms the foundation for the development of molecular machines.
To achieve this, we use synthetic techniques and physicochemical methods to understand the thermodynamics and kinetics that govern the equilibria. We combine experimental and computational modeling to gather valuable information that enables us to control the system as desired.
The design of double hydrazones enables the creation of arm-like systems that mimic biological arms. Controlling their motion with UV irradiation provides precise molecular-level control and facilitates the design of increasingly complex molecular machines.
Not only are they fundamental for the development of photoswitches, but their unique self-assembly with metal ions also yields coordination complexes with distinct electronic and magnetic properties.
As we progress toward more complex systems, we aim to design and synthesize molecular four-arm structures. These systems pose synthetic challenges and suggest the existence of unexplored metastable isomeric states under UV irradiation.
The latter presents many challenges in studying the mechanisms, free energy, and kinetics of each isomeric interconversion. Eager individuals who enjoy conducting fundamental science are essential to our group's understanding and control of these complex and fascinating systems.
Each isomeric entity offers a new chance to build supramolecular structures via coordination with metal ions, as well as a step toward creating molecular walkers, nanocars, and molecular machines.
Hydrazone-based molecular logic gates are promising alternatives to silicon devices for chemical sensing and information processing. Their reversible E/Z isomerization and tunable optical responses to pH, light, and metal ions enable the design of responsive molecular systems.
Building on these properties, the rational design of double- and multifunctional hydrazones enables the development of photoresponsive molecular arms capable of mimicking the coordinated motion observed in biological systems. Through controlled UV irradiation, these systems can undergo directional, reversible conformational changes, allowing molecular-level motion control. This approach not only broadens the functional versatility of hydrazone scaffolds but also creates a conceptual link between molecular logic, mechanical motion, and the emerging field of light-driven molecular machines.
Based on imine bonds, the research group has designed dynamic polymers (dynamers) characterized by exhibiting multiple dynamics with potential applications in molecular electronics, self-repairing materials, and coatings.
The design of smart materials is one of the most exciting and active topics in modern science. In our research group, we are interested in designing "smart" materials, especially those that respond to stimuli such as light, heat, and pH.
We apply quantum chemistry methods for the analysis of the electronic structure of molecules, especially methods based on Wave Function Theory (WFT) and Density Functional Theory (DFT) in the prediction of optical and magnetic properties of molecular materials. Currently, three thematic axes of research define our interests in this line: Electronic structure, electronic spectroscopy, magnetic coupling. In the three thematic elements, compounds with potential application in the design of biomimetic photocatalysts, as well as and photoconductive and photomagnetic molecular materials, are studied.
The application of molecular orbital localization techniques for the description of the electronic structure of different chemical compounds.
The computational study of spectroscopy and light-induced activation mechanisms in organic and inorganic molecules.
The computational evaluation of magnetic coupling mechanisms in organometallic compounds.