Objective
Structural determination of complex chemical compounds is a difficult task and involves the combined use of several tools rooted in different physical principles, many of them classify like spectroscopies as they involve interaction between molecules and electromagnetic radiation
We propose a research program based in 3 major topics in configurational and conformational molecular elucidation. The 1 is centered in nuclear magnetic resonance (wp1), principally involving preparation and testing of novel NMR alignment media and the development of new software for structural analysis automation procedures. Shape-persistent acetylenic macrocycles and polyaromatic structures can provide ordered systems in which constitution, physical properties, and chemical reactivity can be controlled in exquisite detail. Thus in WP2 synthesis and structural elucidation of π-conjugated systems tailored to exhibit specific properties will be addressed involving information gathered from NMR, chiroptical and electrochemical analyses. The 3 topic focuses on the analysis of chiroptical properties (WP3): ORD, ECD and VCD data will be used with the help of quantum mechanics not only for conformational and configurational characterization in combination with NMR, but also to elucidate the origin of the observed chirality
InTECHSE will offer a unique opportunity for the synthetic chemists to learn basic aspects of structural information obtained by magnetic and optical spectroscopies in which experimental measurements are colligated with theoretical calculations. Theoretical chemists will benefit from the possibility of designing together with the synthetic chemists systems for gaining understanding on the mechanisms responsible of chiroptical responses and appropriated methodologies for structural characterization. The expected outcome of this collaborative research is a new set of protocols ready for the use of the synthetic organic chemists in the structural determination of complex structure
Fields of science
Call for proposal
FP7-PEOPLE-2012-IRSES
See other projects for this call
Coordinator
36310 Vigo Pontevedra
Spain
Participants (4)
91054 Erlangen
00185 Roma
Participation ended
1099 085 Lisboa
2829 516 Caparica