Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe33-Q)(CO)9 (Q = S, Se, Te)


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The quantum chemical calculations of induced electric currents in (μ-H)2Fe33-Q)(CO)9 complexes, where Q = S, Se, Te, are carried out. It is demonstrated that the appearance of anomalous 1Н NMR chemical shifts on bridging hydrogen atoms is, first of all, due to the effect of induced currents on iron atoms.

作者简介

M. Ryzhikov

Nikolaev Institute of Inorganic Chemistry, Siberian Branch; Novosibirsk National Research State University

Email: sgk@niic.nsc.ru
俄罗斯联邦, Novosibirsk; Novosibirsk

S. Kozlova

Nikolaev Institute of Inorganic Chemistry, Siberian Branch; Novosibirsk National Research State University

编辑信件的主要联系方式.
Email: sgk@niic.nsc.ru
俄罗斯联邦, Novosibirsk; Novosibirsk

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