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DC Field | Value | Language |
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dc.contributor.author | Buntine, Mark Anthony | en |
dc.contributor.author | Tiekink, Edward Richard Tom | en |
dc.contributor.author | Stewart, Gerarda Marie | en |
dc.date.issued | 1997 | en |
dc.identifier.citation | Journal of Physical Chemistry A, 1997; 101(29):5368-5373 | en |
dc.identifier.issn | 1089-5639 | en |
dc.identifier.uri | http://hdl.handle.net/2440/4631 | - |
dc.description.abstract | The interaction of the thionucleobase 2-thiouracil with the triethylphosphinegold(I) cation has been examined employing ab initio molecular orbital theory. Deprotonation of 2-thiouracil (2-TUH) and subsequent association with [Et₃PAu]⁺ leads to the formation of [Et₃PAu(2-TU H)]; a comparison of calculated and experimental geometric parameters reveals a high degree of agreement. The interaction of two [Et₃PAu]⁺ cations with twice deprotonated 2-TUH indicates that the most stable dinuclear structure is one where coordination occurs via the sulfur and one of the nitrogen atoms leading to almost linear P-Au-S and P-Au-N arrangements, respectively. | en |
dc.language.iso | en | en |
dc.publisher | American Chemical Society | en |
dc.title | Structural aspects of the coordination of triethylphosphinegold(I) to 2-thiouracil: a comparison between theory and experiment | en |
dc.type | Journal article | en |
dc.contributor.school | School of Chemistry and Physics | en |
dc.contributor.school | School of Chemistry and Physics : Chemistry | en |
Appears in Collections: | Chemistry publications |
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