Organoactinide complexes

Tebakis(cyclopentadienyl) actinide complexes, ( 5115)4An, were among the earliest organoactinide complexes synthesized and can be prepared by metathesis see Metathesis) of the anhydrous tetrachlorides (AnCLi) with potassium cyclopentadieitide (KCp) in refluxing benzene (equation 1, for An = Th, U, and Np). Another member of this series, Cp4Pa,... 

Haskel, A., Straub, T., Dash, A. K., Eisen, M. S. Oligomerization and Cross-Oligomerization of Terminal Alkynes Catalyzed by Organoactinide Complexes. J. Am. Chem. Soc. 1999, 121, 3014-3024. 

The pentamethylcyclopentadienyl ligand remains the most important ligand in organoactinide chemistry. It has been very successfully employed in the stabilization of novel organoactinide complexes and in organoactinide catalysis. 

The C-H activation by a number of related organo-rare-earth and organoactinide complexes has been studied thoroughly experimentally [195, 214] and theoretically [14,17,211], and a general o-bond metathesis mechanism has been envisioned (Fig. 26). 

The application of theoretical electronic structure methods to organoactinide complexes has long been hampered by some well-known challenges. Before we detail the computational methodology used in the present studies, we will briefiy summarize some of the particular challenges inherent in the theoretical study of actinide complexes ... 

Because of the aforementioned challenges that theoretical actinide chemistry has posed, applications of traditional correlated ab initio methods are very expensive for organoactinide complexes and are thus limited to either small molecules or small basis sets and/or small active configuration spaces. During the past two... 

Organoactinide complexes of Cp show reactivity with CO analogous to that found for the Zr system outlined above, e.g., equation (e), which proceeds in 50% isolated yield. ... 

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