Silver Complexes of a Novel Tripodal N-Heterocyclic Carbene Ligand: Evidence for Significant Metal-Carbene pi-Interaction
2003
Abstract
A novel N-heterocyclic tridentate polycarbene ligand has been synthesized and stabilized as its corresponding silver complex. An electronic structure investigation reveals significant pi-bonding interactions within the Ag-carbene unit of the [(TIMEMe)2Ag3]3+ cation. Thus, reaction of [1,1,1-tris(3-methylimidazolium-1-yl)methyl]ethane tribromide (1a; {[TIMEMe](Br)3}, prepd. via reaction of 1,1,1-tris(bromomethyl)ethane with N-methylimidazole) with NH4PF6 in MeOH gave [TIMEMe](PF6)3 (1b). Reaction of 1a and 1b with Ag2O in DMSO gave title compds., [(TIMEMe)2Ag3](Ag8Br14) (2a) and [(TIMEMe)2Ag3](PF6)3 (2b) resp. The crystal structures of 1a, 2a, and 2b were detd. and electronic structures via DFT calcns. were discussed. [on SciFinder (R)]
Details
Title
Silver Complexes of a Novel Tripodal N-Heterocyclic Carbene Ligand: Evidence for Significant Metal-Carbene pi-Interaction
Author(s)
Hu, Xile ; Tang, Yongjun ; Gantzel, Peter ; Meyer, Karsten
Published in
Organometallics
Volume
22
Issue
4
Pages
612-614
Date
2003
Keywords
Crystal structure; Molecular structure (of; tris(imidazoliumylmethyl)ethane and its tripodal; N-heterocyclic carbene silver complex); Density functional; theory; Electronic structure; HOMO; LUMO; Pi-pi interaction; (prepn. and crystal and mol. structures of silver complexes; of novel tripodal N-heterocyclic carbene ligand and evidence; for significant metal-carbene pi-interaction); Compd. (C44H48Ag7Br7); NMR 7.47 Role: PRP (Properties); SPN (Synthetic preparation); PREP (Preparation) (mol. structure); silver tripodal heterocyclic carbene ligand complex prepn; structure; imidazoliumylmethylethane carbene silver complex; prepn crystal mol structure; DFT electronic structure calcn; imidazoliumylmethylethane carbene silver complex
Note
CAN 138:221653 29-9 Organometallic and Organometalloidal Compounds Department of Chemistry and Biochemistry,University of California, San Diego,La Jolla,CA,USA. Journal 0276-7333 written in English. 501086-88-0P Role: CPS (Chemical process), PEP (Physical, engineering or chemical process), PRP (Properties), SPN (Synthetic preparation), PREP (Preparation), PROC (Process) (DFT mol. structure calcn.; prepn. and crystal and mol. structures of silver complexes of novel tripodal N-heterocyclic carbene ligand and evidence for significant metal-carbene pi-interaction); 501086-84-6P Role: PRP (Properties), RCT (Reactant), SPN (Synthetic preparation), PREP (Preparation), RACT (Reactant or reagent) (prepn. and crystal and mol. structures of silver complexes of novel tripodal N-heterocyclic carbene ligand and evidence for significant metal-carbene pi-interaction); 616-47-7 (N-Methylimidazole); 60111-68-4 (1,1,1-Tris(bromomethyl)ethane) Role: RCT (Reactant), RACT (Reactant or reagent) (prepn. and crystal and mol. structures of silver complexes of novel tripodal N-heterocyclic carbene ligand and evidence for significant metal-carbene pi-interaction); 501086-86-8P Role: RCT (Reactant), SPN (Synthetic preparation), PREP (Preparation), RACT (Reactant or reagent) (prepn. and crystal and mol. structures of silver complexes of novel tripodal N-heterocyclic carbene ligand and evidence for significant metal-carbene pi-interaction)
Laboratories
LSCI
Record Appears in
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LSCI - Laboratory of Inorganic Synthesis and Catalysis
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date
2007-12-17