Main research interest,
Molecular Clusters
From atoms to molecular materials across the periodic table, pursuing a depper understanding of structural, bonding, and related properties, involving from fullerenes to bare and ligand protected clusters from main group and transition metals.
Funding,
Funding
Title: Copper and Silver Nanocluster as Superatoms. Theoretical Studies Towards Design and Applications of Coinage Metal Clusters.
Role: Principal investigator
Source and ID: FONDECYT ANID Regular 1221676, Chile 2022-2025.
Previous:
Title: GOLD NANOCLUSTERS AS SUPERATOMS. THEORETICAL STUDIES TOWARDS NOVEL CONCEPTS, CHALLENGES, DESIGN AND APPLICATIONS.
Role: Principal investigator
Source and ID: ANID FONDECYT Regular N° 1180683
-
FONDECYT postdoctorado 3190335, Chile 2019-2021. Macarena Rojas, Role: Investigator patrocinante. (Ranked #3 in study section)
Title: Expanding the chemistry of [Re6Se8]2+. Ligand engineering towards efficient and tunable luminescent molecular clusters.
-
FONDECYT postdoctorado 3190329, Chile 2019-2021. Peter Rodriguez, Role: Investigator patrocinante. 3190329
Title: Ligand Dynamics and Fluxionality in Ligand-protected Gold Clusters. Theoretical study of their role in the electronic structure, bonding, and optical molecular properties towards a rational tuning of nanostructures.
Title:DESIGN OF MOLECULAR PRECUSORS BASED ON MACROCYCLIC CLUSTERS TOWARDS THE OBTENTION OF SUPRAMOLECULAR ASSEMBLIES. A THEORETICAL-EXPERIMENTAL APPROACH
Role: Principal investigator
Source and ID: ANID FONDECYT Regular N° 1140359
Title:Molecular Engineering and Supramolecular Chemistry for Catalysis, Electrocatalysis, Remediation and Energy Conversion
Role: Investigator
Principal Investigator: Prof. Ramiro Arratia-Perez
Source and ID: PROJECT MILLENNIUM No. RC120001
http://www.ingenieriamolecular.cl/
Title:RELATIVISTIC ELECTRONIC STRUCTURE OF MOLECULAR PRECURSORS INCLUDING LANTHANIDE AND ACTINIDE COMPLEXES
Role: Co-Investigator
Principal Investigator: Prof. Ramiro Arratia-Perez
Source and ID: FONDECYT N° 1110758
Title:MACROCYCLIC CLUSTERS. RELATIVISTIC CALCULATIONS ON MOLECULAR LUMINESCENCE AND ELECTRONIC DELOCALIZATION PROPERTIES, TOWARDS THE DESIGN OF SUPRAMOLECULAR ASSEMBLIES
Role: Principal investigator
Source and ID: ANID FONDECYT de Iniciación N° 11100027
**Project ranked #1 in the study section
Title:Molecular Engineering and Supramolecular Chemistry for Catalysis, Electrocatalysis, Remediation and Energy Conversion
Role: Investigator
Principal Investigator: Prof. Ramiro Arratia-Perez
Source and ID: PROJECT MILLENNIUM No. P07-006F
http://www.ingenieriamolecular.cl/
Title:Formation of supramolecular arrays. Pyrazole-derivatives as stabilizing ligands of coinage metals extended arrays.
Role: Principal Investigator
Source and ID: Universidad Andres Bello UNAB DI-28-12/R, 2012-2013
Superatoms and Supermolecules
Towards a molecularly conceived materials, the bonding or wiring of building blocks is a relevant notion to further develop. Here, we rationalize different intercluster bonding characteristics, proposing novel concepts and ideas, such as, hybridized superatoms, multiple inter-cluster bonds and second order superatoms.
NMR and Aromaticity
Nuclear magnetic resonance, provides detailed information about the magnetic behavior and chemical environment at the molecular kernel, accounting for particular electronic structure and inherent local/global behavior which gives rise to the centennial, still open, concept of aromaticity.
Host-Guest Chemistry
Catching and incorporating atoms, ions and molecules (Guest) inside defined molecular cavities (Host), favors further development of sensors, controlled growing of macromolecules and interesting charge transfer behaviors.