The Inclusion Mode of tert-Butylbenzene in the 1-D Channel of Microporous β-Bis(1,1,1-trifluoro-5, 5-dimethyl-5-methoxy-acetylacetonato) copper(II)

Abstract

Inclusion of tert-butylbenzeneinto the l-D channel of the titlehost matrix results in aβ-[CuL2]ċ1/3(tert-butylbenzene)inclusion compound(trigonal, space groupR =3;a = 24.495(3),c = 10.510(2) A,V = 5461(1) A3,Z = 9;R = 0.049). The observed guest–host mole ratio of 1/3 was confirmed by X-ray diffraction and arises from the stoichiometric filling of the larger wide segments of the channel. This contrasts with the benzene inclusion compound studied previously, where both the larger and smaller wide segments were occupied to give a 2/3 guest–host stoichiometry. A comparison of these two structures explains the experimental fact that the guest–host mole ratios for inclusions of the title host lie between values of 1/3 and 2/3for 20 different benzene derivatives.