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Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)]
Two rhenium complexes, namely, fac-tricarbonyl(triphenylphosphane-κP)(tropolonato-κ(2) O,O′)rhenium(I), [Re(C(7)H(5)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(Trop)(PPh(3))(CO)(3)] (1), and fac-tricarbonyl(3,5,7-tribromotropolonato-κ(2) O,O′)(triphenylphosphane-κP)rhenium(I), [Re(C(7)H(2)Br(3...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9167630/ https://www.ncbi.nlm.nih.gov/pubmed/35662135 http://dx.doi.org/10.1107/S205322962200465X |
Sumario: | Two rhenium complexes, namely, fac-tricarbonyl(triphenylphosphane-κP)(tropolonato-κ(2) O,O′)rhenium(I), [Re(C(7)H(5)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(Trop)(PPh(3))(CO)(3)] (1), and fac-tricarbonyl(3,5,7-tribromotropolonato-κ(2) O,O′)(triphenylphosphane-κP)rhenium(I), [Re(C(7)H(2)Br(3)O(2))(C(18)H(15)P)(CO)(3)] or fac-[Re(TropBr(3))(PPh(3))(CO)(3)] (2) (TropH is tropolone and and TropBr(3)H is tribromotropolone), were synthesized and their crystal and molecular structures confirmed by single-crystal X-ray diffraction. Both crystallized in the space group P [Image: see text] and display an array of inter- and intramolecular interactions which were confirmed by solid-state (13)C NMR spectroscopy using cross polarization magic angle spinning (CPMAS) techniques, as well as Hirshfeld surface analysis. The slightly longer Re—P distance of 1 [2.4987 (5) versus 2.4799 (11) Å for 1 and 2, respectively] suggests stronger back donation from the carbonyl groups in the former case, possibly due to the stronger electron-donating ability of the unsubstituted tropolonate ring system. However, this is not supported in the Re—CO bond distances of 1 and 2. |
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