Naphthalene complexes

Chromium Tricarbonyl and Chromium Benzene Complexes of Graphene, Their Properties, Stabilities, and Inter‐Ring Haptotropic Rearrangements – A DFT Investigation

“…For the isomers of 6, the benzene chro-271 mium group was found to adopt a staggered conformation whether it is located at the center or at the periphery of the graphenic model. This result is at variance with the eclipsed conformation found in (η 6 -naphthalene)Cr(η 6 -benzene) [54] and should be checked experimentally in the future. …”

“…As can be seen in Figure 13 for the chromium 306 tricarbonyl complex 4, the rearrangement of 4 to 4a proceeds via two structurally and energetically very close η 3 -transition states 4TS1 and 4TS2 and the corresponding η Unfortunately, we could not find any reports of the experimental or even theoretical data for η ,η 6 -IRHR of the graphene complex with that of a related complex of a small or medium-sized PAL, we have calculated this barrier for the simplest model complex (η ene)(η 6 -naphthalene)Cr (7), the optimized structure of 341 which fits very well with the corresponding X-ray data. [54] In this complex, η 6 ,η 6 -IRHR proceeds according to the scheme:…”

Organometallic chemistry of extended periodic π-electron systems: hexahapto-chromium complexes of graphene and single-walled carbon nanotubes

“…47,48 In SWNT, HOPG and graphene chemistry the use of IR spectroscopy is sometimes limited by weak spectral features as a result of the dynamic dipole moments and IR assignments of even well documented complexes can be difficult. 49 In the case of metal complexes of polyaromatic arenes, haptotropic slippage 50 and fluxional behavior 51 of the ligands further complicates characterization using FT-IR spectroscopy. 43 Scanning tunneling microscopy provides more direct evidence of chemical functionalization, if well ordered samples from optimized reactions are available.…”

Preparation of Chiral Amine Carbonyl Chromium(0) Complexes with [(Norbornadiene)Cr(CO)4] as the Complexation Reagent

“…However, the diastereomeric excesses (de determined by NMR signal integration) achieved are the same as those obtained with Cr(CO) 6 within experimental error. This, and the preference for THF as the solvent, [22,67,68] suggests that the complexations performed starting from the amine complexes proceed by replacement of the amine by THF prior to the complexation of the ar- 3 ], are likely to be involved. In order to obtain significant des, the use of ligands other than amines as sources of the chiral information must therefore be considered.…”