Computational study of [2,2]cyclophanes

• Grant number: 06/02994-0
• Support Opportunities: Scholarships abroad - Research
• Start date: August 28, 2006
• End date: September 30, 2006
• Field of knowledge: Physical Sciences and Mathematics - Chemistry
• Principal Investigator: Sergio Emanuel Galembeck
• Grantee: Sergio Emanuel Galembeck
• Host Investigator: Has Lischka
• Host Institution: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto (FFCLRP). Universidade de São Paulo (USP). Ribeirão Preto , SP, Brazil
• Institution abroad: University of Vienna, Austria

Abstract

This travel involves the participation in two congresses and the realization of two stages with researchers that are leaders in these areas of research. In the IUPAC congress, in Warsaw, we will present an oral communication and a poster. In the quantum chemistry symposium, in Berlin, one more work will be presented, perhaps orally. Between these events, I will stay for one week in the group of Prof. Dr. Stefan Grimme, beginning the study of [2,2]cyclophanes by the SCS MP2 method. After the Berlin symposium I will stay in the group of Prof. Dr. Hans Lischka studying the electronic spectra and the first excited states of [2,2]cyclophanes. (AU)