Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates
dc.contributor.author | Buntine, Mark | |
dc.contributor.author | Cox, M. | |
dc.contributor.author | Lim, Y. | |
dc.contributor.author | Yap, T. | |
dc.contributor.author | Tiekink, E. | |
dc.date.accessioned | 2017-01-30T11:32:08Z | |
dc.date.available | 2017-01-30T11:32:08Z | |
dc.date.created | 2012-12-03T07:24:54Z | |
dc.date.issued | 2003 | |
dc.identifier.citation | Buntine, M.A. and Cox, M.J. and Lim, Y.X. and Yap, T.C. and Tiekink, Edward R.T. 2009. Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates. Zeitschrift fuer Kristallographie - New Crystal Structures 218 (1): pp. 56-61. | |
dc.identifier.uri | http://hdl.handle.net/20.500.11937/12669 | |
dc.identifier.doi | 10.1524/zkri.218.1.56.20767 | |
dc.description.abstract |
The xanthate anion in the structure of K[S(2)COnPr] displays the expected features, i.e. planar S2CO chromophore and variation in C-S and C-O distances. The K cation exists in a distorted cubic geometry defined by an O2S6 donor set. Cubes are face-shared so as to form a layer structure with cohesion between layers afforded by hydrophobic interactions. A series of theoretical gas-phase structures have been calculated for isolated S2COR anions. These show that there is a remarkable consistency in geometric parameters across the series. This observation indicates that the nature of the R substituent does not influence greatly the electronic structure of the central S2CO chromophore. | |
dc.publisher | R Oldenbourg Verlag | |
dc.subject | Ethylxanthate | |
dc.subject | Complexes | |
dc.subject | Effective core potentials | |
dc.subject | Methyldithiocarbonate | |
dc.subject | Packing | |
dc.subject | Molecular calculations | |
dc.title | Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates | |
dc.type | Journal Article | |
dcterms.source.volume | 218 | |
dcterms.source.startPage | 56 | |
dcterms.source.endPage | 61 | |
dcterms.source.issn | 00442968 | |
dcterms.source.title | Zeitschrift fuer Kristallographie - New Crystal Structures | |
curtin.department | ||
curtin.accessStatus | Fulltext not available |