Synthesis and structure of ditetrabutylammonium tetrachlorodioxoneptunium(VI)

Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly

“…The average AnO bond distances in 1 – 12 decreases across the period: [UO 2 Cl 4 ] 2– (1.765 Å UO) > [NpO 2 Cl 4 ] 2– (1.748 Å NpO) > [PuO 2 Cl 4 ] 2– (1.735 Å PuO). The contraction in the “yl” bond lengths is explained by the trend of decreasing ionic radii across the 5f elements (i.e., the actinide contraction) − and is consistent with An = O bond distances reported for the uranyl, , neptunyl, , and plutonyl , tetrachloride dianions in other systems.…”

Crystal structure and spectroscopic measurements of room temperature intra-5f fluorescence of Cs2Np(VI)O2Cl4

“…This angle lies within the range reported for the limited number of neptunyl structures published (range 176.5(19)-180.0 • ) [18-32]. The Np-O(oxo) distances of 1 are 1.775(17)Å, a value within range of Np-O(oxo) bond lengths reported for six-coordinate neptunyl chloride compounds NpO 2 Cl 2 (Ph 3 PO) 2 (1.751(18), 1.721(16)Å) and [NBu 4 ] 2 [NpO 2 Cl 4 ] (1.733(5), 1.740(6)Å)[18,32]. The chloride ligands lie in the equatorial plane of the Thermal ellipsoid drawing of Cs 2 NpO 2 Cl 4 showing the atom-labeling scheme used in the tables (50% probability ellipsoids).…”

“…(1) (4) 180.00 (10) neptunyl ion, and the Np-Cl bond distances are 2.653 (3) [18,32]. Single-crystal X-ray diffraction analysis of data collected from 1 at liquid nitrogen temperature reveals that the ground state of the Np(VI)O 2 Cl 4 2− ion has pseudo-D 4h symmetry, which is characterized by four ground state O-Np-O vibrational modes, of which two are Raman active and two are infrared active, and seven Np-Cl modes, of which three are Raman active and four are infrared active [9].…”

Dicaesium tetrachloridodioxidoplutonate(VI)

“…The chloride ligands lie in the equatorial plane of the plutonyl ion, and the Pu-Cl bond distances are 2.6648 (8) Å. Although there are no plutonyl chloride structures reported, these values are longer than Np-Cl bond lengths reported for six-coordinate Cs 2 NpO 2 Cl 4 (2.653 (3) Å) (Wilkerson et al, 2004).…”

“…For related literature, see: Hall et al (1966); Watkin et al (1991); Wilkerson et al (2004); Wilkerson et al (2007); Bean et al (2004Bean et al ( , 2005; Grenthe et al (2006); Grigoriev et al (2004); Runde et al (2003); Sessler et al (2002). Data collection: APEX2 (Bruker, 2003); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.…”