Hola,
¿eres nuevo aquí?

Regístrate gratis y conecta tu empresa con financiación pública, partners y proyectos.

Tengo cuenta

Regístrate

Ver video

MA:CCC

Financiado

Cerrado

Möbius aromaticity a new Challenge for Computational Chemistry

The concept of Möbius aromaticity has become a very popular topic in the literature. However, the synthesis of a viable aromatic Möbius system has been a challenge for Chemistry for 40 years. Herges and collaborators finally solve... ver más

30/09/2012

CSIC

45K€

Presupuesto del proyecto: 45K€

Líder del proyecto

AGENCIA ESTATAL CONSEJO SUPERIOR DE INVESTIGA... No se ha especificado una descripción o un objeto social para esta compañía.

TRL 2-3 | 552M€

Fecha límite participación Sin fecha límite de participación.

Financiación concedida El organismo FP7 notifico la concesión del proyecto el día 2012-09-30 No tenemos la información de la convocatoria

0% 100% 100%

Información adicional privada

No hay información privada compartida para este proyecto. Habla con el coordinador.

1 Participantes

CSIC

0.00€ | Lider

Proyectos interesantes

CTQ2011-22505

Chemical Engine...

Materials Scien...

39K€ Cerrado

CTQ2016-78083-P

Chemical Engine...

Materials Scien...

62K€ Cerrado

CCMOBIUS

Materials Scien...

Applied Physics

164K€ Cerrado

JCI-2008-2611

Chemical Engine...

Materials Scien...

101K€ Cerrado

CTQ2013-42501-P

Chemical Engine...

Materials Scien...

254K€ Cerrado

CTQ2016-76423-P

Chemical Engine...

Applied Physics

36K€ Cerrado

Conecta tu I+D

¿Tienes un proyecto y buscas un partner? Gracias a nuestro motor inteligente podemos recomendarte los mejores socios y ponerte en contacto con ellos. Te lo explicamos en este video

Líder del proyecto

AGENCIA ESTATAL CONSEJO SUPERIOR DE INVESTIGA... No se ha especificado una descripción o un objeto social para esta compañía.

TRL 2-3 | 552M€

Presupuesto del proyecto 45K€

Fecha límite de participación Sin fecha límite de participación.

Descripción del proyecto The concept of Möbius aromaticity has become a very popular topic in the literature. However, the synthesis of a viable aromatic Möbius system has been a challenge for Chemistry for 40 years. Herges and collaborators finally solved this problem combining a normal planar conjugated structure with a rigid prefabricated belt-shaped conjugated segment. After this seminal work more annulenic Möbius aromatic systems have not been reported due to their small cis-trans isomerisation barriers. However, it was proposed that expanded porphyrins with more than four pyrrolic subunits can solve this problem, taking advantage of their conformational flexibility and the number and the nature of substituents on the pyrrolic and meso positions. For instance, it has been shown that the Hückel and Möbius structures can be switched with only small changes in the external conditions (temperature, solvent, pH) of the system or with the metallation of the macrocycle. As one can see, the research of aromatic systems with Möbius topology has just started and there are still lots of aspects and applications to be analyzed. However, before than new Möbius aromatic topologies can be effectively predicted an accurate understanding of the different factors involved in the viability of these systems is required, which is one the main aims of this proposal. As the role of the three determinant factors (aromaticity, strain, metallation) is unclear in advance it is necessary to evaluate them independently using different computational techniques (aromatic criteria, energy decomposition analysis, and reactivity descriptors). In addition, the study of the switches and dynamics of their electronic and photophysical properties in different external conditions, macrocycles, metals, and substituents will be also essential for this project. The final goal of this project will be to use all the theoretical results obtained to design of new viable Möbius aromatic systems.

Conecta tu I+D

Entra hoy

¿Olvidé mi contraseña?

Financiación

Empresas

CTIs/Universidades

Proyectos

Investigadores