Inclusion by a diol host compound: structure and dynamics of volatile guest exchange

Abstract
1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol (H) forms inclusion compounds with furan (1 and 2), tetrahydrofuran (3) and thiophene (4). 1, H·½FUR (H ∶ G = 1 ∶ ½), is a true clathrate, with the furan guest located in a cage formed by the host. The remaining structures (H ∶ G = 1 ∶ 2) 2, H·2FUR, 3, H·2THF and 4, H·2THIO are isostructural with guests located in channels. Selectivity and guest exchange reactions have been analysed and correlated to the topologies of the inclusion compounds.

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