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A Comprehensive Analysis of the Metal–Nitrile Bonding in an Organo-Diiron System
- Source :
- Molecules, Molecules; Volume 26; Issue 23; Pages: 7088, Molecules, Vol 26, Iss 7088, p 7088 (2021)
- Publication Year :
- 2021
- Publisher :
- MDPI, 2021.
-
Abstract
- Nitriles (N≡CR) are ubiquitous in coordination chemistry, yet literature studies on metal–nitrile bonding based on a multi-technique approach are rare. We selected an easily-available di-organoiron framework, containing both π-acceptor (CO, aminocarbyne) and donor (Cp = η5−C5H5) ligands, as a suitable system to provide a comprehensive description of the iron–nitrile bond. Thus, the new nitrile (2–12)CF3SO3 and the related imine/amine complexes (8–9)CF3SO3 were synthesized in 58–83% yields from the respective tris-carbonyl precursors (1a–d)CF3SO3, using the TMNO strategy (TMNO = trimethylamine-N-oxide). The products were fully characterized by elemental analysis, IR (solution and solid state) and multinuclear NMR spectroscopy. In addition, the structures of (2)CF3SO3, (3)CF3SO3, (5)CF3SO3 and (11)CF3SO3 were ascertained by single crystal X-ray diffraction. Salient spectroscopic data of the nitrile complexes are coherent with the scale of electron-donor power of the R substituents; otherwise, this scale does not match the degree of Fe → N π-back-donation and the Fe–N bond energies, which were elucidated in (2–7)CF3SO3 by DFT calculations.
- Subjects :
- Nitrile
coordination chemistry
nitrile ligand
metal–nitrile bonding
π-back-donation
diiron complexes
DFT calculations
Imine
Pharmaceutical Science
DFT calculation
Organic chemistry
Diiron complexe
Article
Analytical Chemistry
Coordination complex
Metal
chemistry.chemical_compound
QD241-441
Drug Discovery
Physical and Theoretical Chemistry
Bond energy
chemistry.chemical_classification
Nuclear magnetic resonance spectroscopy
Crystallography
chemistry
Chemistry (miscellaneous)
visual_art
visual_art.visual_art_medium
Coordination chemistry
Diiron complexes
Metal–nitrile bonding
Nitrile ligand
Molecular Medicine
Amine gas treating
Single crystal
Subjects
Details
- Language :
- English
- ISSN :
- 14203049
- Volume :
- 26
- Issue :
- 23
- Database :
- OpenAIRE
- Journal :
- Molecules
- Accession number :
- edsair.doi.dedup.....bf9ec4d708666d772e8d594c10e80b14