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Reactivity, dynamics and spectroscopy of complex systems

Abstract

The medium and long term trend in chemistry seems to point in the direction of complex systems, according to the academic community. Largely used in different fields of knowledge, from biology to mathematics, "complex systems" may encompass very distinct definitions. In chemistry, it is used both to describe systems made of many components where the interactions follow a non-linear formalism, or systems where the usual approaches are not satisfactory, especially those employing average bulk values not taking into account the existence of micro domains and interfaces.The aim of this project is to investigate complex systems through computational simulations (molecular dynamics and ab-initio calculations), spectroscopy (vibration and UV-Vis-NIR), thermal analysis (TG and DSC) and mechanical (DMA) and morphological (AFM, SEM) characterization.The problems to be addressed are described in three groups (or sub-projects), targeting 1) transformations occurring at interfaces, in which the surface properties plays a determinant role (sub-project 1: interfaces); 2) chemical species showing properties that can be modulated by their conformational structure (conducting polymers) or by composites formation (sub-project 2: hybrid systems) and 3) systems in which the properties of interest (conductivity, viscosity, polarity etc.) are determined by the presence of micro domains (sub-project 3: ionic liquids and polymeric electrolytes). (AU)

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Scientific publications (9)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
SIQUEIRA, LEONARDO J. A.; RIBEIRO, MAURO C. C.. Charge ordering and intermediate range order in ammonium ionic liquids. Journal of Chemical Physics, v. 135, n. 20, . (08/08670-7, 06/58748-7)
FARIA, DALVA L. A.; MAIER, MARTA S.; PARERA, SARA D.; AFONSO, MARISA C.; LIMA, SILVIA C.; EDWARDS, HOWELL G. M.. Non-invasive and non-destructive Raman spectroscopic characterization of some Brazilian ethnographic resins. Journal of Raman Spectroscopy, v. 52, n. 12, SI, . (06/58748-7)
STEM, NAIR; DE SOUZA, MICHELE L.; ARAUJO DE FARIA, DALVA LUCIA; DOS SANTOS FILHO, SEBASTIAO G.. Formation of Ti(III) and Ti(IV) states in Ti3O5 nano- and microfibers obtained from hydrothermal annealing of C-doped TiO2 on Si. Thin Solid Films, v. 558, p. 67-74, . (06/58748-7, 08/03636-5)
COSTA, JEAN C. S.; CORIO, PAOLA; CAMARGO, PEDRO H. C.. Silver-gold nanotubes containing hot spots on their surface: facile synthesis and surface-enhanced Raman scattering investigations. RSC ADVANCES, v. 2, n. 26, p. 9801-9804, . (11/06847-0, 06/06629-4, 06/58748-7)
BATISTA, ELISETE A.; DOS SANTOS, DIEGO P.; ANDRADE, GUSTAVO F. S.; SANT'ANA, ANTONIO C.; BROLO, ALEXANDRE G.; TEMPERINI, MARCIA L. A.. Using Polycarbonate Membranes as Templates for the Preparation of Au Nanostructures for Surface-Enhanced Raman Scattering. Journal of Nanoscience and Nanotechnology, v. 9, n. 5, p. 3233-3238, . (01/09497-8, 06/58748-7)
RODRIGUES, DANIEL CARDOSO; SOUZA ANDRADE, GUSTAVO FERNANDES; ARRUDA TEMPERINI, MARCIA LAUDELINA. SERS performance of gold nanotubes obtained by sputtering onto polycarbonate track-etched membranes. Physical Chemistry Chemical Physics, v. 15, n. 4, p. 1169-1176, . (10/03810-5, 06/58748-7)
DALVA LÚCIA ARAÚJO DE FARIA; THIAGO SEVILHANO PUGLIERI. Um exemplo de aplicação da Microscopia Raman na autenticação de obras de arte. Química Nova, v. 34, n. 8, p. 1323-1327, . (06/58748-7)
LEPRE, LUIZ F.; INOUE, FABIANA; CORIO, PAOLA; SANTOS, PAULO S.; ANDO, ROMULO A.. Spectroscopic characterization of cadion: UVvis, resonance Raman and DFT calculations of a versatile metal complexing agent. Journal of Raman Spectroscopy, v. 44, n. 4, p. 567-572, . (11/22263-8, 06/58748-7)
BERNARDINO, NATHALIA D'ELBOUX; PUGLIERI, THIAGO SEVILHANO; DE FARIA, DALVA L. A.. Effect of MnO2 and alpha-Fe2O3 on organic binders degradation investigated by Raman spectroscopy. VIBRATIONAL SPECTROSCOPY, v. 70, p. 70-77, . (06/58748-7, 11/13760-8, 12/05643-4)

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