Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te)

The quantum chemical calculations of induced electric currents in (μ-H) 2 Fe 3 (μ 3 -Q)(CO) 9 complexes, where Q = S, Se, Te, are carried out. It is demonstrated that the appearance of anomalous 1 Н NMR chemical shifts on bridging hydrogen atoms is, first of all, due to the effect of induced currents on iron atoms.