The importance of Au ⋯ π(aryl) interactions in the formation of spherical aggregates in binuclear phosphane gold(I) complexes of a bipodal thiocarbamate dianion: A combined crystallographic and computational study, and anti-microbial activity

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DOIResolve DOI: http://doi.org/10.1039/c5ra05604g
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TypeArticle
Journal titleRSC Advances
ISSN2046-2069
Volume5
Issue52
Pages4140141411; # of pages: 11
SubjectAntibiotics; Bacteria; Computation theory; Crystallography; Gold; Gold compounds; Anti-bacterial activity; Anti-microbial activity; Bactericidal activity; Computational studies; Gram-negative bacteria; Gram-positive bacterium; Minimum bactericidal concentration (MBC); Minimum inhibitory concentration; X ray crystallography
AbstractBinuclear phosphanegold(i) complexes of a bipodal thiocarbamate dianion, (R<inf>3</inf>PAu)<inf>2</inf>L, R = Et (1), Ph (2) and Cy (3), where LH<inf>2</inf> is {1,4-[MeOC(S)N(H)]<inf>2</inf>C<inf>6</inf>H<inf>4</inf>}, have been synthesised, and characterised spectroscopically (NMR and IR) and by X-ray crystallography. The gold atoms are linearly coordinated within a P-,S-donor set, and are oriented toward the central ring to form intramolecular Au ⋯π(aryl) interactions, rather than the intramolecular Au ⋯O interactions normally observed in mononuclear analogues. This phenomenon has been investigated by theory (LC-ωPBE-XDM) for 1 which revealed that the geometry optimised species with two Au ⋯π(aryl) interactions is more stable by at least 12 kcal mol-1 compared to conformations having one or more Au ⋯O interactions instead. The disk diffusion, minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) methods were used to observe the inhibitory effect of complexes 1-3. The disk diffusion results demonstrated that 1 exhibited a broad spectrum of anti-bacterial activity toward 24 strains of Gram-positive and Gram-negative bacteria. By contrast, the anti-bacterial activity of 2 and 3 was limited to Gram-positive bacteria. Further evaluation showed that 1 exhibited marked bactericidal activity against B. cereus, B. subtilis, E. faecalis, L. monocytogenes, S. aureus, S. saprophyticus and methicillin resistant S. aureus cf. standard antibiotics tetracycline and chloramphenicol.
Publication date
PublisherRoyal Society of Chemistry
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC)
Peer reviewedYes
NPARC number21275785
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Record identifierb2d86ab6-1080-4cae-9bde-c64d2be440e8
Record created2015-07-14
Record modified2016-05-09
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