Аннотация
The rearrangement of the NO ligand in ruthenium–nitrosyl–tetraammine complexes trans-[Ru(NO)(NH3)4X]2+ (X = F–, Cl–, OH–, SH–) has been studied for metastable oxygen-coordinated NO complexes by means of DFT. On the basis of obtained data, this rearrangement is concluded to be caused by ligand-to-metal charge transfer of the p(X)→π*(Ru–ON) type. The excitation energy for electron transfer from p-orbital of ligand to LUMO correlates perfectly with the activation energy of isomerization. Found correlations are explained in terms of electronegativity of the trans ligand X.
Язык оригинала | английский |
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Страницы (с-по) | 2951-2954 |
Число страниц | 4 |
Журнал | European Journal of Inorganic Chemistry |
Том | 2017 |
Номер выпуска | 23 |
DOI | |
Состояние | Опубликовано - 23 июн 2017 |