Quantum Chemistry and Molecular Structure


  We investigate a broad variety of supramolecular systems organized by non-covalent interactions, such as host-guest complexes, protein complexes with small ligands, gels, colloidal systems. The fundamental studies we perform are based on advanced experimental and theoretical techniques and are oriented towards finding solutions in current areas of societal interests.

  In particular, we synthesize new molecular probes (fluorescent, spin and dual molecular probes) that are further used to characterize by various spectroscopic methods (ESR, fluorescence, chemiluminescence, UV-Vis absorption, IR, NMR) the self-assembled and self-organized the materials at nanoscale levels. The experimental studies are combined with theoretical approaches involving description at the atomistic or coarse-grained scale of model systems representing molecules of colloidal or biological relevance, computational investigations aiming at simulation of the behavior of these complex systems in water and to investigate how different interactions interfere with the short- and long-range organization and implicitly with the equilibrium configurations.

  We collaborate with colleagues from the others institute laboratories, Institutes of Romanian Academy and universities from Romania and abroad which support the access to their facilities and afford sharing the knowledge.

  Based on these collaborations, we are now implementing the project PNRR/2023/C9/MCID/I8 – "Chemical host-guest molecular systems for health applications (OMRI for identification of inflammatory pathologies)", CF 97/31.07.2023, contract No 760283/26.03.2024
(https://www.icf.ro/pr_2024/OMRI/index.html).

Dr. Elena-Gabriela IONIŢĂ, CS I - Head of the laboratory

Scientific staff

Dr. Daniel George ANGELESCU, CS I
Dr. Mariana VOICESCU, CS II   (Brainmap profile)
Dr. Iulia MATEI, CS II
Dr. Aurica PRECUPAŞ, CS III
Dr. Radu-Petre SOCOTEANU, CS III
Dr. Florenţa-Daniella SAVONEA, CS III
Dr. Maria Cristina MALEŞ (BUTA), CS III
Dr. Bogdan-Nicolae FRECUŞ, CS
Dr. Alexandru Vincenţiu Florian NECULAE, CS
Alexandru Gabriel BUCUR, ACS (student masterand)

PhD students

Mihaela-Lavinia CIUTU

Auxiliary Staff

Daniel ŞTEFĂNESCU

UV-Vis absorption spectrometer (Perkin Elmer Lamda 35)

Spectrofluorimeter JASCO-6500

Spectrofluorimeter Perkin Elmer-204

IR spectrometer (M-80, Carl Zeiss Jena)

ESR-spectrometers (JES FA 100, JES 3B, JEOL)

Fluorimeter LFI-200

GLOMAX 20/20 LUMINOMETER, w/single reagent injector, Model E 5321 - PROMEGA