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Reactivity of CORM [RuII(CO)3Cl2{N-(N1-methylbenzimidazole)}] with aminoacids. Synthesis, and analytical and structural study for the new binuclear cis-[RuI(CO)2(N-MBI)(μ2-O,O-BAL)]2 sawhorse complex at solid state and in solution
- Source :
- Journal of Molecular Structure. 1184:479-486
- Publication Year :
- 2019
- Publisher :
- Elsevier BV, 2019.
-
Abstract
- The reaction of fac-[RuII(CO)3Cl2( N 3-MBI)], 1, (MBI = N1-methylbenzimidazole) with HBAL (HBAL, N-benzoyl- dl -alanine) brought about cis-[RuI(CO)2( N 3-MBI)(μ2- O , O -BAL)]2, 2. The new binuclear organometallic compound was structurally characterized via X-ray diffraction (XRD, 293 ± 1 K) and FT-IR (KBr matrix) at the solid state, and via 1H-NMR (1·10−2 M, CDCl3) and UV-Vis (8.6·10−5 M, CH3OH) in solution. Simulation of the molecular structure was carried out at DFT-B3LYP/(Ru, Lanl2DZ; CHNO, 6-31G**) level at the gas phase, and structural parameters were compared to experimental (XRD) parameters for 2, and equivalent computations previously performed for the parent mononuclear RuII complex, 1. The absence of any other anionic/cationic molecule either as ligand or co-crystallized species, in addition to the two bridging carboxylato molecules per each dimer molecule was in agreement with the (+1) oxidation state for the two ruthenium centers. The two MBI ligands resulted linked to the metal atoms in trans position with respect to the Ru Ru bond. The Ru Ru, and the Ru N vectors measure 2.6984(4), and 2.236(4) and 2.183(4) A, respectively.
- Subjects :
- 010405 organic chemistry
Chemistry
Ligand
Dimer
Organic Chemistry
Cationic polymerization
chemistry.chemical_element
010402 general chemistry
01 natural sciences
0104 chemical sciences
Analytical Chemistry
Ruthenium
Inorganic Chemistry
Crystallography
chemistry.chemical_compound
Oxidation state
X-ray crystallography
Molecule
Reactivity (chemistry)
Spectroscopy
Subjects
Details
- ISSN :
- 00222860
- Volume :
- 1184
- Database :
- OpenAIRE
- Journal :
- Journal of Molecular Structure
- Accession number :
- edsair.doi...........40db8132ca7c422c6dba537da1de16eb