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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...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2022
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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 |
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author | Schutte-Smith, Marietjie Visser, Hendrik Gideon |
author_facet | Schutte-Smith, Marietjie Visser, Hendrik Gideon |
author_sort | Schutte-Smith, Marietjie |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-9167630 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-91676302022-06-06 Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)] Schutte-Smith, Marietjie Visser, Hendrik Gideon Acta Crystallogr C Struct Chem Research Papers 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. International Union of Crystallography 2022-05-17 /pmc/articles/PMC9167630/ /pubmed/35662135 http://dx.doi.org/10.1107/S205322962200465X Text en © Schutte-Smith and Visser 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Papers Schutte-Smith, Marietjie Visser, Hendrik Gideon Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)] |
title | Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)] |
title_full | Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)] |
title_fullStr | Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)] |
title_full_unstemmed | Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)] |
title_short | Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)] |
title_sort | crystal and molecular structures of fac-[re(bid)(pph(3))(co)(3)] [bid is tropolone (troph) and tribromotropolone (tropbr(3)h)] |
topic | Research Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9167630/ https://www.ncbi.nlm.nih.gov/pubmed/35662135 http://dx.doi.org/10.1107/S205322962200465X |
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