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

Type of content
Journal Article
Thesis discipline
Degree name
Publisher
Wiley
Journal Title
Journal ISSN
Volume Title
Language
eng
Date
2020
Authors
Brenner T
Weiss R
Ferreras M
Senthooran, Rathiga
Curnow, Owen
Crittenden, Deborah
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.

Description
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.
Keywords
cyclopropenium cations, dichlorides, hydrates, ion-pair clusters, symmetry
Ngā upoko tukutuku/Māori subject headings
ANZSRC fields of research
03 Chemical Sciences
Fields of Research::34 - Chemical sciences::3402 - Inorganic chemistry::340202 - Crystallography
Fields of Research::34 - Chemical sciences::3402 - Inorganic chemistry::340208 - Non-metal chemistry
Fields of Research::34 - Chemical sciences::3401 - Analytical chemistry::340101 - Analytical spectrometry
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