2011 Fiscal Year Final Research Report

A proposal on the mechanism for spin-alignment by a conduction electron

Research Project

Project/Area Number	21550047
Research Category	Grant-in-Aid for Scientific Research (C)
Allocation Type	Single-year Grants
Section	一般
Research Field	Organic chemistry
Research Institution	Yokohama City University
Principal Investigator	TSUKADA Hideyuki 横浜市立大学, 生命ナノシステム科学研究科, 教授 (40171970)
Project Period (FY)	2009 – 2011
Keywords	物理有機化学
Research Abstract	We proposed here a new mechanism for spin-alignment in organic p-conjugated molecules having pendant radicals. When the main chain was 1-electron reduced(or oxidized) to give a conduction electron which interact with the pendant spins to align all pendant spins parallel. In other words, these p-conjugated polyradicals have response functionality to change molecular magnetic property upon 1-electron(or hole) doping. DFT calculations for some conjugated diradicals as well as their oxidized states were performed, and energy differences between singlet-triplet states in neutral diradicals or between doublet and quartet states in ionic diradicals were calculated. The results showed the spin alignment can be achieved. We also prepared di(nitronylnitroxide)-diradicals bearing a hydroquinone(or quinine) skeleton.