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- W2028032726 abstract "Quantum chemical calculations at the DFT level have been carried out for trans-[RuII(NH3)4(L)NO]q and trans-[RuII(NH3)4(L)NO]q-1 complexes, where L = NH3, Cl-, and H2O. The equilibrium geometries and the vibrational frequencies are reported not only for the ground state (GS) but also for light-induced metastable states MS1 and MS2. The nature of the Ru−NO+ and Ru−NOo bonds has been investigated by means of the energy decomposition analysis (EDA). The nature of the Ru−NO bond has been analyzed for the three states GS, MS1, and MS2, considering two different situations: before and after one-electron reduction. The results suggest that not only the orbital term but also the ΔEPauli term is responsible for weakening of the RuII−NOo bond, the ΔEPauli term increasing in comparison with the RuII−NO+ bonds, thus making the NOo ligand more susceptible to dissociation in comparison with NO+. Calculations of the RuIII−NOo species show that in this case the bonds are mainly covalent, but the electrostatic stabilization also plays an important role. Among the orbital interactions, the π-back-donation is the most important term." @default.
- W2028032726 created "2016-06-24" @default.
- W2028032726 creator A5033413160 @default.
- W2028032726 creator A5046843703 @default.
- W2028032726 date "2007-10-13" @default.
- W2028032726 modified "2023-10-02" @default.
- W2028032726 title "The Nature of the Ru−NO Bond in Ruthenium Tetraammine Nitrosyl Complexes" @default.
- W2028032726 cites W1826233890 @default.
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- W2028032726 cites W1970250983 @default.
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- W2028032726 cites W1971883397 @default.
- W2028032726 cites W1973740667 @default.
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- W2028032726 cites W1994003996 @default.
- W2028032726 cites W1996147332 @default.
- W2028032726 cites W1996413534 @default.
- W2028032726 cites W2001910035 @default.
- W2028032726 cites W2007413463 @default.
- W2028032726 cites W2009315765 @default.
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- W2028032726 cites W2011881219 @default.
- W2028032726 cites W2014058296 @default.
- W2028032726 cites W2023275162 @default.
- W2028032726 cites W2025125501 @default.
- W2028032726 cites W2028540684 @default.
- W2028032726 cites W2028839535 @default.
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- W2028032726 doi "https://doi.org/10.1021/om700271r" @default.
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