1H, 13C and 15N NMR coordination shifts in gold(III), cobalt(III), rhodium(III) chloride complexes with pyridine, 2,2'-bipyridine and 1,10-phenantroline
| Authors | |
|---|---|
| Year of publication | 2007 |
| Type | Article in Periodical |
| Magazine / Source | Magnetic Resonance in Chemistry |
| MU Faculty or unit | |
| Citation | |
| Web | DOI: 10.1002/mrc.1910 |
| Doi | http://dx.doi.org/10.1002/mrc.1910 |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | quantum chemical NMR calculations |
| Attached files | |
| Description | 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 [(MLCl3)-L-1], trans-[(ML4Cl2)-L-2](+), mer-[(ML3Cl3)-L-2], [M-1(LL)Cl-2](+), cis-[M-2(LL)(2)Cl-2](+), where M-1 = Au; M-2 = Co, Rh; L = py; LL = bpy, phen, were studied by H-1-C-13 HMBC and H-1-N-15 HMQC/HSQC. The H-1, C-13 and N-15 coordination shifts (the latter from ca -78 to ca -10 7 ppm) are discussed in relation to the type of metal, electron configuration, coordination sphere geometry and the type of ligand. The C-13 and N-15 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. |
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