Open AccessTrend‐Analysis of Solid‐State Structures: Low‐Energy Conformational ‘Reactions’ Involving Directed and Coupled Movements in Half‐Sandwich Compounds [CpFe(CO){C(=O)R}PPh 3 ]
Author(s) -
Brunner Henri,
Tsuno Takashi
Publication year - 2018
Publication title -
chemistryopen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 29
ISSN - 2191-1363
DOI - 10.1002/open.201800007
Subject(s) - intramolecular force , chemistry , ligand (biochemistry) , solid state , hydrogen bond , acceptor , stereochemistry , group (periodic table) , crystallography , oxygen atom , molecule , receptor , organic chemistry , biochemistry , physics , condensed matter physics
Trends in solid‐state structures were used to identify preferred intramolecular movements in half‐sandwich compounds [CpFe(CO){C(=O)R}PPh 3 ]. Three weak interactions were analyzed: 1) the CH/π donor–acceptor interaction of phenyl rings in the PPh 3 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 PPh 3 phenyl rings. Clockwise and counter‐clockwise rotations established directed and coupled movements of the PPh 3 ligand, the acyl group, and the phenyl rings within the PPh 3 ligand.