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The hybridization of 1,4-bis(isoquinoline)butane (BIQBT2+) cation with iodobismuthate under different solvents produce two isomers α-[(BIQBT)(BiI4)2]n (α-1, in CH3OH/H2O mixed solvent, Triclinic system with P-1 space group) and β-[(BIQBT)(BiI4)2]n (β-1, in CH3OH, Monoclinic system with P21/c space group). The 1-D (BiI4)nn− chains are constructed from the opposite edge-sharing BiI6 octahedra. The (BIQBT)2+ in α-isomer adopts the planar configuration, and that in β-isomer presents the chair-like configuration, as a result, different packing modes (intercalating quasi-3-D mode for α-1 and interlocking 2-D mode for β-1) are observed. Interestingly, from α-1 to β-1, distortion degree of BiI6 octahedron and π–π stacking interaction decrease, but hydrogen bonds number increase. Consequently, due to different packing mode, photoluminescence/thermochromisms can be found in α-1, but those of β-1 are vanished, Theoretical calculation was conducted to disclose the structure/thermochromism correlation. [ABSTRACT FROM AUTHOR]

Under the template of methyl viologen (MV2+ = methyl viologen) and ethyl viologen (EV2+ = ethyl viologen), two new viologen/iodobismuthate hybrids, (MV)5(Bi2I10)(Bi2I9)2 (1) and (EV)3(Bi4I18) (2) have been structurally determined. The highly interesting feature of 1 lies in its combination of two kinds of dimeric iodobismuthate clusters, i.e. (Bi2I10)4− and (Bi2I9)3− in one lattice induced by MV2+, which are constructed from edge- and face-sharing BiI6 octahedra respectively. But the (Bi4I18)6− tetramer in 2 is based on edge- and vertex-sharing BiI6 octahedra. C–H···I hydrogen bonds contribute to the formation of quasi-3-D networks. The smaller gap of 1 might be led by more versatile C–H···I hydrogen bond interactions due to the presence of mixed type iodobismuthate clusters. Two hybrids display reversible thermochromism behaviors. Theoretical calculation suggests that the terminal iodine is dominated in electron transfer of thermochromisms, rather than bridged iodine. [ABSTRACT FROM AUTHOR]

A new halocadmium/methyl viologen hybrid (MV)(CdI)(CdI) ( 1) (MV = methyl viologen) has been structurally determined. In 1, two kinds of dimeric halocadmium clusters constructed from edge/vertex-sharing CdI tetrahedra respectively, i.e., CdI and CdI dimmers were observed, which were templated by methyl viologen cation (MV). A highly interesting feature of 1 is the presence of mixed type dimeric halocadmium clusters in one crystal lattice templated by one kind of cation. 1 displays photoluminescences, and its thermochromism behavior is observed, whose mechanism was verified by theoretical calculations. [ABSTRACT FROM AUTHOR]

Two new methyl viologen halocadmium charge-transfer salts with isostructures, [(MV)(CdI)]·3HO ( 1) and (MV)(CdI)·HO ( 2) (MV = methyl viologen, i.e., 1,1′-dimethyl-4,4′-bipyridinium), have been structurally determined. 1 and 2 consist of CdI clusters, MV dications, lattice waters with isostructures, and C-H···I hydrogen bonds are presented in 1 but absent in 2, furthermore, their relative stabilities based on were investigated by DFT calculations. Both compounds display photoluminescences in the visible region under visible-light excitations, and their thermochromism effects are observed. But their photoluminescence and thermochromic behaviors differ greatly with the presence or absence of hydrogen bonds. Moreover, their absorption spectra have also been discussed. [ABSTRACT FROM AUTHOR]