Brunner, Henri and Balazs, Gabor and Tsuno, Takashi and Iwabe, Haruka (2018) PPh3 Propeller Diastereomers: Bonding Motif Ph-PPh3 Face-On pi-Ar in Half-Sandwich Compounds [(pi-Ar)LL ' MPPh3]. ACS OMEGA, 3 (1). pp. 982-990. ISSN 2470-1343,
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Chiral-at-metal compounds (R-Ru, S-C)/(S-Ru, S-C)-[CyRu(1O-2N) PPh3] PF6 and (R-Ru, S-C)/(S-Ru, S-C)-[CyRu(2O-1N) PPh3] PF6 were prepared using anions 1O-2N(-) and 2O-1N(-) of the Schiff bases, derived from the hydroxynaphthalde-hydes and (S)-1-phenylethylamine. The pure (R-Ru, S-C)-diastereomers were obtained by crystallization. In the unit cell of (R-Ru, S-C)-[CyRu(1O-2N) PPh3] PF6, there are three independent molecules, which differ in the propeller sense of the PPh3 ligand. Molecules [1] and [2] have (MPPh3)configuration and molecule [3] has (PPPh3)-PPh3 configuration. PPh3 diastereoisomerism is discussed including other pairs of compounds, differing only in the PPh3 configuration. A conformational analysis reveals an internal stabilization inside the PPh3 ligand by a system of attractive CH/pi interactions and a new bonding motif Ph-PPh3 face-on pi-Ar, both characteristic features of [(pi-Ar) LL'MPPh3] compounds. The propeller diastereomers interconvert via a low-energy pathway and a high-energy pathway, corroborated by density functional theory calculations.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | AUXILIARY BASIS-SETS; CRYSTAL-STRUCTURE; CONFIGURATION; COMPLEXES; LIGANDS; CH/PI; ATOMS; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 23 Mar 2020 13:53 |
| Last Modified: | 23 Mar 2020 13:53 |
| URI: | https://pred.uni-regensburg.de/id/eprint/15409 |
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