Cyclopentadienyl/Phenyl Attraction in CpM-L-E-Ph Compounds by CH/pi Interactions

Brunner, Henri and Tsuno, Takashi (2015) Cyclopentadienyl/Phenyl Attraction in CpM-L-E-Ph Compounds by CH/pi Interactions. ORGANOMETALLICS, 34 (7). pp. 1287-1293. ISSN 0276-7333, 1520-6041

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Abstract

In the solid state and also in solution CpM-L-E-Ph compounds adopt preferential conformations, in which C-H bonds of the Cp ligand bind to the pi system of the phenyl substituent. This holds for CpMo(CO)(2)-amidinato and -thioamidato as well as for CpM-P(OPh)(3) complexes. In the solid state this is demonstrated by short contacts CHCsp(2), retrieved in a CSD search, comparable to those in the archetypal T-shaped benzene dimer. In solution the CH/pi stabilization shows up in a typical high-field shift of the CpH signal, due to the anisotropy beam of the phenyl substituent, and in the thermodynamic stability of major and minor diastereomers in diastereomer equilibria. A special motif is the unsymmetrical bonding of two CpH bonds to the phenyl substituent, reminiscent of the new tilted T-shaped benzene dimer.

Item Type: Article
Uncontrolled Keywords: TRANSITION-METAL-COMPLEXES; ORGANOMETALLIC COMPOUNDS; BENZENE DIMER; CONFORMATIONAL-ANALYSIS; X-RAY; ABSOLUTE-CONFIGURATIONS; AROMATIC INTERACTIONS; CARBONYL DERIVATIVES; MOLECULAR-STRUCTURES; PHOSPHITE COMPLEXES;
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie
Depositing User: Dr. Gernot Deinzer
Date Deposited: 22 Jul 2019 13:06
Last Modified: 22 Jul 2019 13:06
URI: https://pred.uni-regensburg.de/id/eprint/5641

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