Photoelectron spectroscopy of f-element organometallic complexes. 6. Electronic structure of tetrakis(cyclopentadienyl)actinide complexes

Journal Article · Wed Jul 03 04:00:00 EDT 1985 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00208a012· OSTI ID:5132274

Bursten, B E; Casarin, M; DiBella, S; Fang, A; Fragala, I L

A description of the electronic structure of M(eta/sup 5/-C/sub 5/H/sub 4/CH/sub 3/)/sub 4/ (M = Th, U) complexes as based upon He I and He II photoelectron spectra and relativistic X..cap alpha..-SW calculations is presented. Despite the true S/sub 4/ symmetry of the molecules, the outermost MO's are grouped as if the complexes have a pure tetrahedral ligation environment. As a consequence, donation to empty metal orbitals appears to be highly dominated by the symmetry requirements. The HOMO in Cp'/sub 4/U is almost pure 5f in character, and the corresponding /sup 2/F/sub 5/2/ final state produced upon ionization is split by operation of a T/sub d/ ligand field. The relative intensity variations observed on passing from He I to He II spectra are quite unexpected. It appears that the He II increases of PE signals due to MO's having large metal 6d character are greater than those due to MO's having comparable 5f admixture.

• Research Organization: Universita di Catania, Italy
• OSTI ID: 5132274
• Journal Information: Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 24:14; ISSN INOCA
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400702* -- Radiochemistry & Nuclear Chemistry-- Properties of Radioactive Materials
ACTINIDE COMPOUNDS
ALKENES
CYCLOALKENES
CYCLOPENTADIENE
DATA
DIENES
ELECTRONIC STRUCTURE
EXPERIMENTAL DATA
HYDROCARBONS
INFORMATION
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
POLYENES
THORIUM COMPOUNDS
URANIUM COMPOUNDS