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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Pitak, Mb
in Cooperation with on an Cooperation-Score of 37%
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Publications (3/3 displayed)
- 2022Aryl, bi-functionalised imidazo[4,5-f]-1,10-phenanthroline ligands and their luminescent rhenium(I) complexescitations
- 2013A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoatescitations
- 2013The competition between halogen bonds (Br???O) and C–H???O hydrogen bonds: the structure of the acetone–bromine complex revisitedcitations
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article
The competition between halogen bonds (Br???O) and C–H???O hydrogen bonds: the structure of the acetone–bromine complex revisited
Abstract
A combination of single-crystal X-ray (at 110 and 200 K) and high-resolution neutron powder diffraction (110 K only) using perdeuterated samples has been used to re-determine the crystal structure of the well-known acetone-Br-2 complex. The results indicate a significant interaction between the carbonyl oxygen and the nearest Br atom leading to a marked elongation of the molecular Br-Br bond. In the earlier widely cited crystal structure, no such elongation was reported. Furthermore, the new structure indicates the presence of additional weaker C-H???O and C-H???Br interactions. In this simple complex, in which the halogen bonding is strong compared to the hydrogen bonding (C-H???O), the former interaction is found to occur close (similar to 12 degrees) to the plane of the carbonyl group, with the C-H???Br complementing the stronger halogen bond.