Maurel Vincent, Skorka Lukasz, Onofrio Nicolas, Szewczyk Ewa, Djurado David, Dubois Lionel, Mouesca Jean-Marie, Kulszewicz-Bajer Irena
University Grenoble Alpes , INAC, SCIB, F-38000 Grenoble and CEA, INAC, SCIB, F-38054 Grenoble, France.
Faculty of Chemistry, Warsaw University of Technology , Noakowskiego 3, 00-664 Warsaw, Poland.
J Phys Chem B. 2014 Jul 10;118(27):7657-7667. doi: 10.1021/jp504223v. Epub 2014 Jun 27.
This report describes the study of a dimer d and a linear trimer t of amminium radical cations coupled by 3,4'-biphenyl spin coupling units. The synthesis of the parent diamine and triamine and their optical and electrochemical properties obtained by UV-visible and cyclic voltammetry are presented. The chemical doping of the parent diamine d and triamine t was performed quantitatively to obtain samples containing the corresponding dimer d and trimer t in almost pure high-spin states as evidenced by pulsed EPR nutation spectroscopy. The J coupling constants of the corresponding S = 1 and S = 3/2 spin states were measured (J/k = 135 K) and compared quantitatively to DFT calculations.
本报告描述了对由3,4'-联苯自旋耦合单元连接的铵自由基阳离子二聚体d和线性三聚体t的研究。介绍了母体二胺和三胺的合成及其通过紫外可见光谱和循环伏安法获得的光学和电化学性质。对母体二胺d和三胺t进行了定量化学掺杂，以获得几乎处于纯高自旋态的含有相应二聚体d和三聚体t的样品，脉冲电子顺磁共振章动光谱证明了这一点。测量了相应S = 1和S = 3/2自旋态的J耦合常数（J/k = 135 K），并与密度泛函理论计算进行了定量比较。
