MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of
computational methods from Hartree–Fock and density functional theory to various …

We briefly review advances in computational actinoid (An) chemistry during the past ten
years in regard to two issues: the geometrical and electronic structures, and reactions. The …

Uranium metallocenes have recently attracted attention driven by their use as catalysts in
organometallic synthesis. In addition to bent U (IV) and U (III), an U (II) metallocene [(η5-C5 i …

There is a growing interest in uranium coordination chemistry, particularly as it relates to
metal–ligand multiple bonding, and in the last decade significant progress has been made …

Treatment of U (BH4) 4 with 1 or 3 equiv of Li2 (SCS)· 1.5 Et2O, 1, afforded the actinide
carbene complexes U (μ-SCS) 3 [U (BH4) 3] 2 (4) and U (μ-SCS) 3 [Li (Et2O)] 2 (6) …

The reaction of [AnCl (NR2) 3](An= U, Th, R= SiMe3) with in situ generated lithium-3, 3-
diphenylcyclopropene results in the formation of [{(NR2) 3} An (CHCCPh2)](An= U, 1; Th, 2) …

Reaction of (CpSiMe3) 3U or (CpSiMe3) 3Nd with (Cp* Al) 4 or Cp* Ga (Cp*= C5Me5)
afforded the isostructural complexes (CpSiMe3) 3M− ECp*(M= U, E= Al (1); M= U, E= Ga (2); …

Despite the fact that non-aqueous uranium chemistry is over 60 years old, most polarised-
covalent uranium-element multiple bonds involve formal uranium oxidation states IV, V, and …

Reaction of the Th (IV) metallacycle [Th (C H2SiMe2 N SiMe3)(NR2) 2](1; R= SiMe3), with
Ph3P CH2 affords the Th (IV) carbene [Th (CHPPh3)(NR2) 3](2) in good yield. In solution …

Abstract Treatment of [Ph3EMe][I] with [Na {N (SiMe3) 2}] affords the ylides [Ph3E= CH2](E=
As, 1As; P, 1P). For 1As this overcomes prior difficulties in the synthesis of this classical …