Tricyclopentadienylneptunium-chlorid

Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands

“…In order to evaluate the reliability of the adopted theoretical methods, the singlet, triplet, quintet, and septet structures of the mononuclear sandwich complexes U(COT) 2 …”

“…Compared with the sum of single-bond covalent radii [59] of U and X, the U-X(terminal) bonds can be interpreted as being single bonds, while the U-X(bridging) bond distances appear to be longer than the U-X(terminal) bonds. The average U-CN(bridging) bond distances for (COT) 2 [20]. Additionally, most of the metalligand bond lengths of (COT) 2 U 2 X 4 are slightly shorter than those of (COT) 2 U 2 X 2 , suggesting stronger metal-ligand bonds in the tetravalent complexes compared to the trivalent derivatives.…”

“…It should be emphasized that the experimental results are for solid compound whereas the calculated structures are for the gas-phase complexes. It is clear that for U-C and C-N bond distances in U(COT) 2 Clavaguéra and Dognon [15]. In addition, for the studied complexes of (COT) 2 U 2 X 2 and (COT) 2 U 2 X 4 , the most stable structures with septet and quintet spin states were also optimized at the M06-L/6-311G(d, p)/RECP level of theory (Table S2); the differences from the structure parameters calculated by the B3LYP (Table 1) and M06-L methods are within 0.1 Å.…”

“…Since then, several triscyclopentadienyl actinide(lV) halides (Cp 3 AnX) such as Cp 3 NpCl [2], Cp 3 PuCl [3], and Cp 3 UF [4] have been isolated. In 1978, Manriquez et al [5] reported new thorium and uranium derivatives containing two pentamethylcyclopentadienyl (Cp* = η 5 -C 5 Me 5 ) rings.…”

“…For example, Berthet and co-workers [12] 8 ), in which the two cyclooctatetraenyl ligands (COT) adopt a bent configuration [14]. The cyanide complex with COT ligands [(COT) 2 …”