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    Characterisation of a Series of Discrete Dichloride Dihydrates and the Effect of Symmetry (2020)

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    Dichloride dihydrate manuscript 30 June.pdf (1.433Mb)
    Type of Content
    Journal Article
    UC Permalink
    https://hdl.handle.net/10092/105232
    
    Publisher's DOI/URI
    http://doi.org/10.1002/cplu.202000563
    
    Publisher
    Wiley
    ISSN
    2192-6506
    Language
    eng
    Collections
    • Science: Journal Articles [1177]
    Authors
    Brenner T
    Weiss R
    Ferreras M
    Senthooran, Rathiga
    Curnow, Owen cc
    Crittenden, Deborah cc
    show all
    Alternative Title
    A Series of Discrete Dichloride Dihydrates: Characterisation and Symmetry Effects
    Abstract

    A 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.

    Citation
    Senthooran 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.
    This citation is automatically generated and may be unreliable. Use as a guide only.
    Keywords
    cyclopropenium cations; dichlorides; hydrates; ion-pair clusters; symmetry
    ANZSRC Fields of Research
    34 - Chemical sciences::3402 - Inorganic chemistry::340202 - Crystallography
    34 - Chemical sciences::3402 - Inorganic chemistry::340208 - Non-metal chemistry
    34 - Chemical sciences::3401 - Analytical chemistry::340101 - Analytical spectrometry
    Rights
    All rights reserved unless otherwise stated
    http://hdl.handle.net/10092/17651

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