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Pentahydridorhenium: crystal and molecular structure of ReH/sub 5/(PMePh/sub 2/)/sub 3/

Journal Article · · Inorg. Chem.; (United States)
DOI:https://doi.org/10.1021/ic00192a034· OSTI ID:5866583

The crystal and molecular structure of the pentahydrido complex ReH/sub 5/(PMePh/sub 2/)/sub 3/, has been determined by x-ray diffraction techniques at room temperature and refined against neutron diffraction data obtained at 20 K to yield precise locations for all atoms. The two independent molecules in the unit cell possess essentially identical dodecahedral cores, with the three phosphines and one hydride in B (5-neighbor) positions and the remaining four hydrides in A (4-neighbor) sites. The mean Re-H bond distance is 1.688 (5)A, which is in agreement with that found in K/sub 2/ReH/sub 9/(1.68(1)A). At convergence with anisotropic thermal parameters refined for all 174 atoms (1568 variables), agreement factors are presented for 11,374 independent neutron observations. Crystal data at 20.0(5)K are presented for the complex. In solution, /sup 1/H and /sup 31/P (/sup 1/H) NMR meausrements indicated that the compounds are fluxional molecules, with magnetically equivalent hydrides and phosphides at 25/sup 0/C.

Research Organization:
Brookhaven National Lab., Upton, NY
OSTI ID:
5866583
Journal Information:
Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 23:24; ISSN INOCA
Country of Publication:
United States
Language:
English