Jump to main content
Jump to site search

Issue 31, 2007
Previous Article Next Article

Silsesquioxane dendrimers as catalysts: A bite-sized molecular dynamics study

Author affiliations

Abstract

A method of calculating the bite (P–M–P) angle for dendritic ligands is reported. Diphenylphosphine terminated dendritic ligands were modified with either a single rhodium or a rhodium complex [HRh(CO)2] and molecular dynamics techniques used to run simulations to determine the dynamic bite angle (βd) as a time averaged property. The effects of changing the composition of the dendritic branches is investigated and comparison with experimental hydroformylation data reveals that the dendrimer with the highest linear: branched ratio also has a dynamic bite angle closest to the theoretical ideal value of 120°.

Graphical abstract: Silsesquioxane dendrimers as catalysts: A bite-sized molecular dynamics study

Back to tab navigation

Supplementary files

Article information


Submitted
01 Mar 2007
Accepted
17 May 2007
First published
12 Jun 2007

Dalton Trans., 2007, 3415-3420
Article type
Paper

Silsesquioxane dendrimers as catalysts: A bite-sized molecular dynamics study

K. J. Haxton, D. J. Cole-Hamilton and R. E. Morris, Dalton Trans., 2007, 3415
DOI: 10.1039/B703156D

Social activity

Search articles by author

Spotlight

Advertisements