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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KC8 by Materials Project

KC8 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded to twelve C+0.12- atoms to form edge-sharing KC12 cuboctahedra. There are eight shorter (3.04 Å) and four longer (3.06 Å) K–C bond lengths. There are two inequivalent C+0.12- sites. In the first C+0.12- site, C+0.12- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and three C+0.12- atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) C–C bond length. In the second C+0.12- site, C+0.12- is bonded in a distorted trigonal planar geometry to one K1+ and three C+0.12- atoms. The C–C bond length is 1.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exploring the use of the pentaphenylcyclopentadienyl ligand in uranium chemistry: the crystal structure of (C

The reaction of UI3 with NaC5Ph5 in THF generated (η5-C5Ph5)UI2(THF)2 which was characterized by X-ray crystallography. The complex has a four-legged piano stool structure with a 2.539 Å U– (C5Ph5 ring centroid) distance that is slightly longer than the 2.504 Å distance in (η5-C5Me5)UI2(THF)3 which has a larger formal coordination number. Although the synthesis of the mono-cyclopentadienyl complex was facile, no bis-cyclopentadienyl complexes were isolated from reactions using two equivalents of the pentaphenylcyclopentadienyl ligand per uranium. In one UI3/2NaC5Ph5 synthesis, the X-ray crystal structure of (THF)3Na(η5-C5Ph5) was obtained. Attempts to reduce (η5-C5Ph5)UI2(THF)2 did not give evidence for a UII product. KC8 reductions of the in situ reaction of NdI3 and NaC5Ph5, analogous to the synthesis of (η5-C5Ph5)UI2(THF)2, yielded an X-ray crystal structure of a solvent-separated ion pair (SSIP), [K(18-crown-6)(THF)2][C5Ph5].

Chemistry↗
DOE OSTI2020

Materials Data on KAgC2 by Materials Project

KAgC2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to eight equivalent C1- atoms to form a mixture of edge and face-sharing KC8 hexagonal bipyramids. All K–C bond lengths are 3.13 Å. Ag1+ is bonded in a linear geometry to two equivalent C1- atoms. Both Ag–C bond lengths are 2.05 Å. C1- is bonded in a distorted linear geometry to four equivalent K1+, one Ag1+, and one C1- atom. The C–C bond length is 1.25 Å.

36 MATERIALS SCIENCE↗