Characterisation of a Series of Discrete Dichloride Dihydrates and the Effect of Symmetry

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dc.contributor.authorBrenner T
dc.contributor.authorWeiss R
dc.contributor.authorFerreras M
dc.contributor.authorSenthooran, Rathiga
dc.contributor.authorCurnow, Owen
dc.contributor.authorCrittenden, Deborah
dc.date.accessioned2023-03-15T03:41:22Z
dc.date.available2023-03-15T03:41:22Z
dc.date.issued2020en
dc.date.updated2023-02-13T01:20:58Z
dc.description.abstractA series of three discrete dichloride dihydrates [Cl2(H2O)2]2− have been isolated with different triaminocyclopropenium (TAC) cations and with different crystallographic symmetries. The cluster exhibits D2h symmetry with the tris(dimethylamino)cyclopropenium cation [C3(NMe2)3]+, C2h symmetry with the fluorinated cation [C3(N(CH2CF3)2)(NBu2)2]+ (containing two 2,2,2-trifluoroethyl substituents) and C2v symmetry with the more fluorinated [C3(N(CH2CF3)2)2(NBu2)]+ cation. The effect of symmetry on the infrared spectra of the dichloride ion-pair clusters, as well as deuterated analogues, has been investigated. The D2h- and C2h-symmetric clusters each exhibit two stretching bands in the infrared at 3427 and 3368 cm−1 for D2h symmetry and 3444 and 3392 cm−1 for C2h symmetry, whereas the C2v-symmetric cluster exhibits three bands at 3475, 3426 and 3373 cm−1. Computational studies were carried out on a [Cl2(H2O)2]2− cluster with C2v symmetry to aid the infrared band assignments.en
dc.identifier.citationSenthooran R, Curnow OJ, Brenner T, Weiss R, Ferreras M, Crittenden DL (2020). Characterisation of a Series of Discrete Dichloride Dihydrates and the Effect of Symmetry. ChemPlusChem. 85(10). 2272-2280.en
dc.identifier.doihttp://doi.org/10.1002/cplu.202000563
dc.identifier.issn2192-6506
dc.identifier.urihttps://hdl.handle.net/10092/105232
dc.languageeng
dc.language.isoenen
dc.publisherWileyen
dc.rightsAll rights reserved unless otherwise stateden
dc.rights.urihttp://hdl.handle.net/10092/17651en
dc.subjectcyclopropenium cationsen
dc.subjectdichloridesen
dc.subjecthydratesen
dc.subjection-pair clustersen
dc.subjectsymmetryen
dc.subject.anzsrc03 Chemical Sciencesen
dc.subject.anzsrcFields of Research::34 - Chemical sciences::3402 - Inorganic chemistry::340202 - Crystallographyen
dc.subject.anzsrcFields of Research::34 - Chemical sciences::3402 - Inorganic chemistry::340208 - Non-metal chemistryen
dc.subject.anzsrcFields of Research::34 - Chemical sciences::3401 - Analytical chemistry::340101 - Analytical spectrometryen
dc.titleCharacterisation of a Series of Discrete Dichloride Dihydrates and the Effect of Symmetryen
dc.title.alternativeA Series of Discrete Dichloride Dihydrates: Characterisation and Symmetry Effectsen
dc.typeJournal Articleen
uc.collegeFaculty of Science
uc.departmentSchool of Physical & Chemical Sciences
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