Brunner, Henri and Tsuno, Takashi (2016) CH/pi-stabilization controls the architecture of the PPh3 propeller in transition-metal complexes. CH/pi- and Cl/pi-interactions determine its orientation within the molecule. INORGANICA CHIMICA ACTA, 446. pp. 132-142. ISSN 0020-1693, 1873-3255
Full text not available from this repository. (Request a copy)Abstract
The architecture of the triphenylphosphine propeller in Cr-PPh3 complexes and in the compounds trans-[MCl2(PPh3)(2)], M = Ni, Pd, and Pt, is analyzed on the basis of a CSD search. The three phenyl rings interact with each other by formation of weak CH/pi bonds comparable to the archetypal T-shaped benzene dimer. ortho-CH bonds from inside the propeller bind to ipso-and ortho-carbon atoms of adjacent phenyl rings. In the broad energy minimum A/B there is a discontinuity in the transition from A to B. Binding switches from inside to outside ortho-carbon atoms. ortho-CH bonds from outside the propeller establish similar weak bonds with unsaturated ligands (and the metal atom) which control the arrangement of the PPh3 propeller within the molecule. In the trans-[MCl2(PPh3)(2)] complexes it is the Cl/pi interaction which determines the orientation of the PPh3 propeller in the molecule. (C) 2016 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CH-PI INTERACTIONS; CONFORMATIONAL-ANALYSIS; CRYSTAL-STRUCTURE; ORGANOMETALLIC COMPLEXES; HYDROGEN-BONDS; PHOSPHINE-LIGANDS; BENZENE DIMER; CF-PI; TRIPHENYLPHOSPHINE; VAN; CH/pi interactions; Triphenylphosphine; Propeller; Transition-metal complexes |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 25 Mar 2019 12:27 |
| Last Modified: | 25 Mar 2019 12:27 |
| URI: | https://pred.uni-regensburg.de/id/eprint/3019 |
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