Research in the Muñoz Lab. solves problems in Inorganic, Organic, Organometallic, and excited-state Chemistry using theoretical and computational methodologies, in order to understand the electronic structure and related molecular properties, increasing the knowledge about experimental physico-chemical observables.
Currently, we are engaged in the following areas:
-
Computational ChemistryPrediction of molecular metallic clusters and main group aggregates
-
Group theory applications
-
Magnetic response (nuclear-shielding tensors, chemical shift anisotropy, and induced magnetic field)
-
Non-covalent interactions, Host-Guest, Cation-π, Anion-π systems, etc.
-
Superatoms and related cluster aggregates
-
Analysis of UV-vis, FTIR, EPR, and multi-nuclear NMR
-
Inorganic and Organometallic synthesis. We are also engaged in the synthesis and characterization of some interesting molecules.
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
