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Self-assembly of supramolecular architectures driven by σ-hole interactions : a halogen-bonded 2d network based on a diiminedibromido gold(III) complex and tribromide building blocks
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dc.contributor.author | Aragoni, M Carla | |
dc.contributor.author | Cherchi, M Francesca | |
dc.contributor.author | Lippolis, Vito | |
dc.contributor.author | Pintus, Anna | |
dc.contributor.author | Podda, Enrico | |
dc.contributor.author | Slawin, Alexandra M Z | |
dc.contributor.author | Woollins, J Derek | |
dc.contributor.author | Arca, Massimiliano | |
dc.date.accessioned | 2022-11-14T11:30:09Z | |
dc.date.available | 2022-11-14T11:30:09Z | |
dc.date.issued | 2022-09-23 | |
dc.identifier | 282142266 | |
dc.identifier | 79dc9d04-96e9-4072-94a3-ff2983ea5785 | |
dc.identifier | 36234826 | |
dc.identifier | 85139812438 | |
dc.identifier | 000867165000001 | |
dc.identifier.citation | Aragoni , M C , Cherchi , M F , Lippolis , V , Pintus , A , Podda , E , Slawin , A M Z , Woollins , J D & Arca , M 2022 , ' Self-assembly of supramolecular architectures driven by σ-hole interactions : a halogen-bonded 2d network based on a diiminedibromido gold(III) complex and tribromide building blocks ' , Molecules , vol. 27 , no. 19 , 6289 . https://doi.org/10.3390/molecules27196289 | en |
dc.identifier.issn | 1420-3049 | |
dc.identifier.other | Jisc: 688595 | |
dc.identifier.other | pii: molecules27196289 | |
dc.identifier.other | pmc: PMC9571214 | |
dc.identifier.other | ORCID: /0000-0002-9527-6418/work/123195849 | |
dc.identifier.uri | https://hdl.handle.net/10023/26389 | |
dc.description | Funding: The authors acknowledge Fondazione di Sardegna (FdS Progetti Biennali di Ateneo, annualità 2018) for the financial support. | en |
dc.description.abstract | The reaction of the complex [Au(phen)Br2](PF6) (phen = 1,10-phenanthroline) with molecular dibromine afforded {[Au(phen)Br2](Br3)}∞ (1). Single crystal diffraction analysis showed that the [Au(phen)Br2]+ complex cations were bridged by asymmetric tribromide anions to form infinite zig-zag chains featuring the motif ···Au–Br···Br–Br–Br···Au–Br···Br–Br–Br···. The complex cation played an unprecedented halogen bonding (XB) donor role engaging type-I and type-II XB noncovalent interactions of comparable strength with symmetry related [Br3]− anions. A network of hydrogen bonds connects parallel chains in an infinite 2D network, contributing to the layered supramolecular architecture. DFT calculations allowed clarification of the nature of the XB interactions, showing the interplay between orbital mixing, analyzed at the NBO level, and electrostatic contribution, explored based on the molecular potential energy (MEP) maps of the interacting synthons. | |
dc.format.extent | 9 | |
dc.format.extent | 2097163 | |
dc.language.iso | eng | |
dc.relation.ispartof | Molecules | en |
dc.subject | Supramolecular | en |
dc.subject | Bromine | en |
dc.subject | Sigma-hole | en |
dc.subject | Halogen bond | en |
dc.subject | Crystallography | en |
dc.subject | Gold | en |
dc.subject | Polyhalide | en |
dc.subject | DFT | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject | NIS | en |
dc.subject | MCC | en |
dc.subject.lcc | QD | en |
dc.title | Self-assembly of supramolecular architectures driven by σ-hole interactions : a halogen-bonded 2d network based on a diiminedibromido gold(III) complex and tribromide building blocks | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | 10.3390/molecules27196289 | |
dc.description.status | Peer reviewed | en |
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