Computer simulation of intramolecular mobility of dendrimers

✍ Scribed by M.A. Mazo; P.A. Zhilin; E.B. Gusarova; S.S. Sheiko; N.K. Balabaev

• Book ID: 104304011
• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 620 KB
• Volume: 82
• Category: Article
• ISSN: 0167-7322
• DOI: 10.1016/s0167-7322(99)00045-8

✦ Synopsis

Structure and intramolecular mobility of a carbosilane dendrimer of the 5th generation has been analysed in a wide temperature range by molecular dynamics. It is shown that in a "poor" solvent, the frequency of conformational transitions, f IOt, is independent on the conformer position in the macromolecule with the exception of chain end fragments. For the latter, the frequency was 2-3 times higher at all temperatures. In a "good" solvent, f,, uniformly increases with a conformer distance from the centre of the molecule. Intramolecular diffusion of chain ends was highly temperature dependent. This allowed to suggest the existence of "liquid-like" and "glassy" states of individual dendrimer molecules.