Structural studies and matrix photochemistry of tetramethyloxorhenium(vi), (CH3)4ReO, and related compounds
Abstract
The crystal structure of O bonds that are mutually trans. Salient average dimensions (distances in Å, angles in °) are as follows: 1 Re–C 2.110(8), Re
O 1.684(4), O
Re–C 112.6(2), C–Re–C 81.5(5) and 134.8(3); 2 Re–C 2.095–2.134(11), Re
O 1.675(6), Re–O 1.851(1), O
Re–C 103.0–113.5(4),
C–Re–C 79.2(4) and 132.5–137.0(4). Density functional theory (DFT) calculations have been performed to predict ionization energies for (CH3)4ReO. In the light of these results, the photoelectron spectrum has been reassigned.
Re(O)(CH3)2, 3. The results are discussed in relation to the photochemistry of methyltrioxorhenium(VII) in similar circumstances.