Dynamics and molecular aggregation in crystalline [{M(C5H5)}3(µ3-η2: η2: η2-C6H5R)][M = Co, R = CH(Ph)Me, CH2CH2Ph or CHCHMe; M = Rh, R = H] clusters

Autor:	Fabrizia Grepioni, Hubert Wadepohl, Dario Braga, Stefan Gebert, Emilio Parisini
Rok vydání:	1995
Předmět:	Molecular aggregation Crystallography chemistry.chemical_compound Cyclopentadienyl complex Chemistry Stereochemistry Ligand Intramolecular force Intermolecular force Solid-state General Chemistry Type (model theory) Benzene
Zdroj:	J. Chem. Soc., Dalton Trans.. :1089-1093
ISSN:	1364-5447 0300-9246
DOI:	10.1039/dt9950001089
Popis:	The intermolecular aggregation in crystalline arene clusters of the type [{M(C5H5)}3(µ3-η2 : η2 : η2-C6H5R)][M = Co, R = CH(Ph)Me, CH2CH2Ph or CHCHMe; M = Rh, R = H] has been investigated by atom–atom packing potential-energy calculations and computer graphics. The ease of reorientation of the arene fragments and of the cyclopentadienyl ligands in the solid state has been investigated by calculating intramolecular and intermolecular potential-energy barriers. It has been shown that, except for the benzene ligand in [{Rh(C5H5)}3(µ3-η2 : η2 : η2-C6H6)], the facial arenes cannot undergo reorientation in the solid state, whereas the reorientational motion of the cyclopentadienyl ligands is under intramolecular control.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d911f04a1797a02bcc904f05e4609e65 https://doi.org/10.1039/dt9950001089 Zobrazit plný text záznamu