Trend-Analysis of Solid-State Structures: Low-Energy Conformational "Reactions' Involving Directed and Coupled Movements in Half-Sandwich Compounds [CpFe(CO){C(=O)R}PPh3]

Brunner, Henri and Tsuno, Takashi (2018) Trend-Analysis of Solid-State Structures: Low-Energy Conformational "Reactions' Involving Directed and Coupled Movements in Half-Sandwich Compounds [CpFe(CO){C(=O)R}PPh3]. CHEMISTRYOPEN, 7 (5). pp. 313-318. ISSN 2191-1363,

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Abstract

Trends in solid-state structures were used to identify preferred intramolecular movements in half-sandwich compounds [CpFe(CO){C(=O)R}PPh3]. Three weak interactions were analyzed: 1)the CH/ donor-acceptor interaction of phenyl rings in the PPh3 ligand, 2)the Ph-PPh3 face-on Cp stabilization, and 3)the hydrogen bond between the oxygen atom of the acyl group and an ortho-C-H bond of one of the PPh3 phenyl rings. Clockwise and counter-clockwise rotations established directed and coupled movements of the PPh3 ligand, the acyl group, and the phenyl rings within the PPh3 ligand.

Item Type: Article
Uncontrolled Keywords: CH/PI INTERACTIONS; CRYSTAL-STRUCTURES; PPH3 PROPELLER; PROTEINS; DATABASE; BINDING; donor-acceptor interactions; half-sandwich iron complexes; hydrogen bonding; propellers; triphenylphosphine
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie > Alumni or Retired Professors > Prof. Dr. Henri Brunner
Depositing User: Dr. Gernot Deinzer
Date Deposited: 23 Mar 2020 10:49
Last Modified: 23 Mar 2020 10:49
URI: https://pred.uni-regensburg.de/id/eprint/14635

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