Nanosized polyphenylene dendrimers based upon pentaphenylbenzene units

Autor:	Frank Morgenroth, Christian Kübel, Klaus Müllen
Rok vydání:	1997
Předmět:	Nanostructure Materials science Dispersity General Chemistry chemistry.chemical_compound Crystallography Molecular dynamics Monomer chemistry Dendrimer Tetraphenylcyclopentadienone Polymer chemistry Materials Chemistry Molecule Divergent synthesis
Zdroj:	Journal of Materials Chemistry. 7:1207-1211
ISSN:	1364-5501 0959-9428
DOI:	10.1039/a700032d
Popis:	A facile divergent synthesis of monodisperse polyphenylene dendrimers having diameters of 21–55 A is presented. These nanoparticles have been preparedvia a [2+4]cycloaddition–deprotection sequence using an excess of tetraphenylcyclopentadienone 1a as monomer and the tetraethynylbiphenyl 2 as core. Due to the dense packing of 22, 62 or 142 benzene rings in generations G 1 , G 2 and G 3 , respectively, the conformational freedom of the higher generations G 2 and G 3 is limited. Molecular mechanics calculations as well as molecular dynamics simulations are included in a discussion of the structure and the shape-persistence of G 2 . The calculations revealed that selected inner distances of the molecule varied only 5–10% during the molecular dynamics simulations, thus indicating that the overall shape of the molecule essentially did not change throughout the simulation time.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::0d49a551b14eede0ec765c2c640feb30 https://doi.org/10.1039/a700032d Zobrazit plný text záznamu