Pazderski Leszek, Tousek Jaromír, Sitkowski Jerzy, Kozerski Lech, Marek Radek, Szłyk Edward
Faculty of Chemistry, Nicholas Copernicus University, Gagarina 7, PL-87100, Toruń, Poland.
Magn Reson Chem. 2007 Jan;45(1):24-36. doi: 10.1002/mrc.1910.
Au(III), Co(III) and Rh(III) chloride complexes with pyridine (py), 2,2'-bipyridine (bpy) and 1,10-phenanthroline (phen) of the general formulae [M1LCl3], trans-[M2L4Cl2]+, mer-[M2L3Cl3], [M1(LL)Cl2]+, cis-[M2(LL)2Cl2]+, where M1=Au; M2=Co, Rh; L=py; LL=bpy, phen, were studied by 1H--13C HMBC and 1H--15N HMQC/HSQC. The 1H, 13C and 15N coordination shifts (the latter from ca-78 to ca-107 ppm) are discussed in relation to the type of metal, electron configuration, coordination sphere geometry and the type of ligand. The 13C and 15N chemical shifts were also calculated by quantum-chemical NMR methods, which reproduced well the experimental tendencies concerning the coordination sphere geometry and the ligand type.
研究了通式为[M1LCl3]、反式-[M2L4Cl2]+、面式-[M2L3Cl3]、[M1(LL)Cl2]+、顺式-[M2(LL)2Cl2]+的金(III)、钴(III)和铑(III)与吡啶(py)、2,2'-联吡啶(bpy)和1,10-菲咯啉(phen)形成的氯化物配合物，其中M1 = Au；M2 = Co、Rh；L = py；LL = bpy、phen，采用1H-13C HMBC和1H-15N HMQC/HSQC进行研究。结合金属类型、电子构型、配位球几何形状和配体类型，讨论了1H、13C和15N配位位移(后者从约-78至约-107 ppm)。还通过量子化学NMR方法计算了13C和15N化学位移，该方法很好地再现了有关配位球几何形状和配体类型的实验趋势。
