A Discrete Dichloride Tetrahydrate Trapped by a Cyclopropenium Cation: its Structure and Spectroscopic Properties

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dc.contributor.authorFerreras M
dc.contributor.authorAbdelbassit, Mohammed
dc.contributor.authorCurnow, Owen
dc.contributor.authorCrittenden, Deborah
dc.date.accessioned2023-03-15T03:50:56Z
dc.date.available2023-03-15T03:50:56Z
dc.date.issued2020en
dc.date.updated2023-02-13T01:22:47Z
dc.description.abstractA discrete dichloride tetrahydrate cluster, [Cl2(H2O)4]2−, was obtained as a salt of the bis(diphenylamino)diethylamino cyclopropenium cation [C3(NPh2)2(NEt2)]+ and characterized by single-crystal X-ray diffraction and infrared spectroscopy. This chloride–chloride ion-pair cluster consists of a [Cl2(H2O)2]2− square with opposite edges bridged by water molecules to give a chair-like structure of the non-hydrogen atoms. The solid-state structure is essentially the same as the calculated gas-phase structure. Infrared spectra were also collected on the deuterium analogue [Cl2(D2O)4]2−. Computational studies were carried out on gas-phase [Cl2(H2O)4]2− to confirm the infrared band assignments in the solid state. The structure and infrared spectrum are consistent with the discrete nature of the cluster.en
dc.identifier.citationAbdelbassit MS, Curnow OJ, Ferreras M, Crittenden DL (2020). A Discrete Dichloride Tetrahydrate Trapped by a Cyclopropenium Cation: its Structure and Spectroscopic Properties. ChemPlusChem. 85(5). 927-932.en
dc.identifier.doihttp://doi.org/10.1002/cplu.202000146
dc.identifier.issn2192-6506
dc.identifier.urihttps://hdl.handle.net/10092/105233
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.subjectgas-phase clustersen
dc.subjecthydratesen
dc.subjection pairsen
dc.subject.anzsrc03 Chemical Sciencesen
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.subject.anzsrcFields of Research::34 - Chemical sciences::3402 - Inorganic chemistry::340202 - Crystallographyen
dc.titleA Discrete Dichloride Tetrahydrate Trapped by a Cyclopropenium Cation: its Structure and Spectroscopic Propertiesen
dc.typeJournal Articleen
uc.collegeFaculty of Science
uc.departmentSchool of Physical & Chemical Sciences
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