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https://olympias.lib.uoi.gr/jspui/handle/123456789/8351Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Tsipis, A. C. | en |
| dc.contributor.author | Tsipis, C. A. | en |
| dc.date.accessioned | 2015-11-24T16:41:00Z | - |
| dc.date.available | 2015-11-24T16:41:00Z | - |
| dc.identifier.issn | 0002-7863 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/8351 | - |
| dc.rights | Default Licence | - |
| dc.subject | silver bromide clusters | en |
| dc.subject | closed-shell attraction | en |
| dc.subject | chemical-shifts | en |
| dc.subject | intermolecular interactions | en |
| dc.subject | aurophilic interactions | en |
| dc.subject | trinuclear | en |
| dc.subject | cation | en |
| dc.subject | hydrocarbons | en |
| dc.subject | density | en |
| dc.subject | analogs | en |
| dc.title | Ligand-stabilized aromatic three-membered gold rings and their sandwichlike complexes | en |
| heal.type | journalArticle | - |
| heal.type.en | Journal article | en |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.identifier.primary | Doi 10.1021/Ja051415t | - |
| heal.identifier.secondary | <Go to ISI>://000230831600041 | - |
| heal.identifier.secondary | http://pubs.acs.org/doi/pdfplus/10.1021/ja051415t | - |
| heal.language | en | - |
| heal.access | campus | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.publicationDate | 2005 | - |
| heal.abstract | Electronic structure calculations (DFT) suggest that ligand-stabilized three-membered gold(l) rings constituting the core structure in a series of cyclo-Au3LnH3-n (L = CH3, NH2, OH and Cl; n = 1, 2, 3) molecules exhibit aromaticity, which is primarily due to 6s and 5d cyclic electron delocalization over the triangular Au-3 framework (s- and d-orbital aromaticity). The aromaticity of the novel triangular gold(l) isocycles was verified by a number of established criteria of aromaticity. In particular, the nucleus-independent chemical shift, NICS(0), the upfield changes in the chemical shifts for Li+, Ag+, and TI+ cations over the Au-3 ring plane, and their interaction with electrophiles (e.g., H+, Li+, Ag+, and TI+) are indicative for the aromaticity of the three-membered gold(l) rings. Interestingly, unlike the respective substituted derivatives of cyclopropenium cation and the bora-cyclopropene carbacyclic analogues, the aromatic Au-3 rings, although exhibit comparable diatropicity, react with electrophiles in a different way affording 1:1 and 2:1 sandwichlike complexes. The bonding in the three-membered gold(I) rings is characterized by a common ring-shaped electron density, more commonly seen in aromatic organic molecules and in "all-metal" aromatics, such as the cyclo-[Hg-3](4-) tetraanion. Moreover, the cation-pi interactions in the 1:1 and 1:2 sandwichlike complexes formed upon reacting the Au-3 rings with electrophiles, depending on the nature of the cation, are predicted to be predominantly electrostatic (Li+, TI+) or covalent (H+, Ag+). The 1:2 complexes constitute a new class of sandwichlike complexes, which are expected to have novel properties and applications. | en |
| heal.journalName | J Am Chem Soc | en |
| heal.journalType | peer reviewed | - |
| heal.fullTextAvailability | TRUE | - |
| Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Tsipis-2005-Ligand-stabilized ar.pdf | 882.52 kB | Adobe PDF | View/Open Request a copy |
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