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

1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol (H) forms inclusion compounds wi th furan (1 and 2). tetrahydrofuran (3) and thiophene (4). 1, H . (FUR)-F-1 /2 (H : G = 1:1/2), 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 chann els. Selectivity and guest exchange reactions have been analysed and correl ated to the topologies of the inclusion compounds.