Molecular structure of tetrakis(tert-butylimido)osmium(VIII), determined in the gas phase by electron diffraction
- 1 January 1994
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 10,p. 1563-1569
- https://doi.org/10.1039/dt9940001563
Abstract
The molecular structure of Os(NBut)4 has been determined in the gas phase by electron diffraction. The NBut groups are in a distorted-tetrahedral arrangement around the central osmium atom, and bent in such a way that the overall molecular symmetry is reduced to S4. The Os–N bond length (ra) is 175.0(3) pm, and Os–N–C is 156.4(15)°. Two of the N–Os–N angles (about the S4 axis) are 104.6(14)° and the other four are 111.9(7)°. Other important parameters are r(N–C) 147.6(9), r(C–C) 1 52.7(4) pm and N–C–C 107.0(5)°. Geometrical parameters for Os(NMe)4 and Os(NH)4 optimised using density functional theory are presented, and interpreted with the aid of extended-Hückel calculations.Keywords
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