The Effect of trans Ligands in the NO-Linkage Reverse Isomerization for Ruthenium–Nitrosyl–Tetraammine Complexes: A DFT Study Full article
Journal |
European Journal of Inorganic Chemistry
ISSN: 1434-1948 , E-ISSN: 1099-0682 |
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Output data | Year: 2017, Volume: 2017, Number: 23, Pages: 2951-2954 Pages count : 6 DOI: 10.1002/ejic.201700138 | ||||||
Tags | Charge transfer, Density functional calculations, Metastable compounds, Ruthenium, Thermal decay | ||||||
Authors |
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Affiliations |
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Funding (1)
1 | Federal Agency for Scientific Organizations | 0303-2016-0001 |
Abstract:
The rearrangement of the NO ligand in ruthenium–nitrosyl–tetraammine complexestrans-
[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 fromp-orbital of ligand to LUMO correlates perfectly with the activation energy of isomerization. Found correlations are explained in terms of electronegativity of thetrans ligand X.
Cite:
Yamaletdinov R.D.
, Zilberberg I.L.
The Effect of trans Ligands in the NO-Linkage Reverse Isomerization for Ruthenium–Nitrosyl–Tetraammine Complexes: A DFT Study
European Journal of Inorganic Chemistry. 2017. V.2017. N23. P.2951-2954. DOI: 10.1002/ejic.201700138 WOS Scopus РИНЦ
The Effect of trans Ligands in the NO-Linkage Reverse Isomerization for Ruthenium–Nitrosyl–Tetraammine Complexes: A DFT Study
European Journal of Inorganic Chemistry. 2017. V.2017. N23. P.2951-2954. DOI: 10.1002/ejic.201700138 WOS Scopus РИНЦ
Dates:
Submitted: | Feb 13, 2017 |
Published online: | May 2, 2017 |
Published print: | Jun 23, 2017 |
Identifiers:
Web of science | WOS:000404128500003 |
Scopus | 2-s2.0-85021130194 |
Elibrary | 31033818 |
Chemical Abstracts | 2017:1048607 |
OpenAlex | W2611255876 |