Quantum-chemical Design of Stereoregular Polyphosphines for Nanowires

Polyphosphines bind with metals to give complexes with interesting chemical and biological properties, depending on their molecular structures. The aim of this project is to produce stereoregular polyphosphines that self-assemble with gold ions to form complexes in which linear arrays of gold ions are insulated by two polyphosphine strands in a DNA-like double alpha-helix arrangement. The longer complexes will behave as nanowires; the shorter ones should have significant antitumour properties. To achieve this aim, we will use a combined theoretical experimental approach in which quantum-chemical calculations of the polymerisation mechanism will assist in the design of the stereoselective polymerisation of small phosphorus heterocycles.