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Title: Synthesis, characterization, and structure of a uranyl complex with a disulfide ligand, bis(di-n-propylammonium) disulfidobis(di-n-propylthiocarbamato)dioxouranate(VI)

Olive green crystals of the title compound, [(n-C3H7)2NH2+]2[UO2((n-C3H7)2NCOS)2(S2)]2-, are orthorhombic, space group Pcan, with a = 15.326 (6) Å, b = 17.474 (6) Å, c = 14.728 (6) Å, and Z = 4 (dx = 1.45 g/cm3). For 1833 data, I > σ, R= 0.052, and Rw = 0.069. In this paper, the structure was revealed by single-crystal X-ray diffraction studies to consist of [(n-C3H7)2NH2]+ cations and [UO2((n-C3H7)2NCOS)2(S2)]2- anions with the uranium atom at the center of an irregular hexagonal bipyramid. The uranyl oxygen atoms occupy the axial positions. The equatorial coordination plane contains the disulfide (S22-) group bonded in a "side-on" fashion and two oxygen and two sulfur donor atoms from the mono-thiocarbamate ligands. Interatomic distances are S-S = 2.05 (1) Å and U-S = 2.711 (3) Å (disulfide), U-S = 2.873 (3) Å and U-O = 2.48 (1) Å (thiocarbamate), and U-O = 1.82 (1) Å (uranyl). Finally, the nitrogen atom in the dipropylammonium cation is hydrogen bonded to the uranyl oxygen atoms.
Authors:
 [1] ;  [1] ;  [2] ;  [2]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials and Molecular Research Division
  2. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
Publication Date:
OSTI Identifier:
1068175
Report Number(s):
LBL--10654
Journal ID: ISSN 0020-1669
DOE Contract Number:
W-7405-Eng-48
Resource Type:
Journal Article
Resource Relation:
Journal Name: Inorganic Chemistry; Journal Volume: 21; Journal Issue: 1
Publisher:
American Chemical Society (ACS)
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Orgs:
Univ. of California, Berkeley, CA (United States)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY