Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375521 | Chemical Physics | 2009 | 7 Pages |
Abstract
The IR and Raman spectra of P0â² and P4â² dendrimers built from an octasubstituted metal-free phthalocyanine core with oxybenzaldehyde terminal groups have been recorded. The phthalocyanine core was used as a probe for analyzing the properties of the internal structure. The structural optimization and normal mode analysis were performed for P0â² dendrimer on the basis of the density functional theory (DFT). It was found that the P0â² molecule exists in a stable conformation with planar phthalocyanine core. The calculated geometrical parameters and harmonic vibrational frequencies are predicted in a good agreement with the experimental data. The experimental IR spectra of P1 dendrimer were interpreted by means of potential energy distributions. Relying on DFT calculations a complete vibrational assignment is proposed. The difference IR and Raman spectra of molecules built from the thiophosphoryl and phthalocyanine cores with the same repeating units and terminal groups were studied in order to underline the role of the core functionality on the dendrimer architecture.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
V.L. Furer, I.I. Vandyukova, A.E. Vandyukov, J.P. Majoral, A.M. Caminade, V.I. Kovalenko,