Conjugated Dendrimer: Characterization of a New Class of Organic Materials
This paper reports ground and excited states calculations of dendrimer by a methodology based on INDO/S, including electronic correlation CI. The results reveal the existence of different electronic patterns for the different generations of this molecule. The results indicate that this class of dendrimers has a peculiar behavior on dipole moment of the different families. These results are consistent with recent experimental data supporting the importance of this state for the mechanism of the interaction of dendrimer. The mechanism of relaxation of dendrimer is supported by the absorption spectra simulation and the conclusion comes by analysis of main transitions presents on different generations of this class of molecules.
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Document Type: Research Article
Publication date: November 1, 2011
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