%0 Journal Article %1 Scheiring.2000 %A Scheiring, T. %A Kaim, W. %A Fiedler, J. %D 2000 %J Journal of Organometallic Chemistry %K acetyl bipyridine complex complex;geometrical crystal electronic manganese mol rhenium structure %N 1 %P 136--141 %R 10.1016/S0022-328X(99)00691-9 %T Geometrical and electronic structures of the acetyl complex Re(bpy)(CO)3(COCH3) and of M(bpy)(CO)4(OTf), M = Mn, Re %V 598 %X The compd. fac-Re(bpy)(CO)3(COCH3) (1) (bpy = 2,2'-bipyridine) with three different kinds of p-acceptor ligands coordinated to rhenium(I) has been investigated by IR spectroelectrochem. to reveal the occupation of the p*(bpy) MO on one-electron redn. to 1.bul.- with negligible participation of the p-accepting acetyl group. The results are discussed in relation to the spectroscopy (NMR, IR) and the crystal structure anal. of the neutral complex 1, which reveals a short C-O(acetyl) (1.157(12) \AA) and a long Re-C(acetyl) bond (2.245(12) \AA) and an orientation of the Re-C(O)CH3 plane parallel to the C2 axis of the coordinated bpy. The result is an orthogonal arrangement of dxz/p*(bpy) and dxy/p*(acetyl) orbitals. This situation stands in distinct contrast to the structure reported for the complex salt Re(L)(CO)3(COCH3)(PPN) (PPN+ = bis(triphenylphosphoranylidene)ammonium) with a cyclometalated 2-phenylpyridine ligand L. The crystal structures of the related complexes M(bpy)(CO)4(OTf), M = Re and Mn, were detd. for comparison. on SciFinder(R)

@article{Scheiring.2000, abstract = {The compd. fac-Re(bpy)(CO)3(COCH3) (1) (bpy = 2,2'-bipyridine) with three different kinds of \textgreek{p}-acceptor ligands coordinated to rhenium(I) has been investigated by IR spectroelectrochem. to reveal the occupation of the \textgreek{p}*(bpy) MO on one-electron redn. to 1.bul.- with negligible participation of the \textgreek{p}-accepting acetyl group. The results are discussed in relation to the spectroscopy (NMR, IR) and the crystal structure anal. of the neutral complex 1, which reveals a short C-O(acetyl) (1.157(12) {\AA}) and a long Re-C(acetyl) bond (2.245(12) {\AA}) and an orientation of the Re-C(O)CH3 plane parallel to the C2 axis of the coordinated bpy. The result is an orthogonal arrangement of dxz/\textgreek{p}*(bpy) and dxy/\textgreek{p}*(acetyl) orbitals. This situation stands in distinct contrast to the structure reported for the complex salt [Re(L)(CO)3(COCH3)](PPN) (PPN+ = bis(triphenylphosphoranylidene)ammonium) with a cyclometalated 2-phenylpyridine ligand L. The crystal structures of the related complexes [M(bpy)(CO)4](OTf), M = Re and Mn, were detd. for comparison. [on SciFinder(R)]}, added-at = {2022-06-15T11:26:56.000+0200}, author = {Scheiring, T. and Kaim, W. and Fiedler, J.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/294daffe474023bc42a2cc8f3dc99fb48/huebleriac}, doi = {10.1016/S0022-328X(99)00691-9}, interhash = {c258524a7d18118fdd5e3df4f27e3d93}, intrahash = {94daffe474023bc42a2cc8f3dc99fb48}, journal = {Journal of Organometallic Chemistry}, keywords = {acetyl bipyridine complex complex;geometrical crystal electronic manganese mol rhenium structure}, number = 1, pages = {136--141}, timestamp = {2022-06-15T09:26:56.000+0200}, title = {Geometrical and electronic structures of the acetyl complex Re(bpy)(CO)3(COCH3) and of [M(bpy)(CO)4](OTf), M = Mn, Re}, volume = 598, year = 2000 }