Gui-Lin Zhuang

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Two high-nuclearity 3d-4f clusters Ln24Zn4 (Ln = Gd and Sm) featuring four Ln6 octahedra encapsulating a Zn4 tetrahedron were obtained through the self-assembly of Zn(OAc)2 and Ln(ClO4)3. Quantum Monte Carlo (QMC) simulations show the antiferromagnetic coupling between Gd(3+) ions. Studies of the magnetocaloric effect (MCE) show that the Gd24Zn4 cluster(More)
A 3D metal-organic framework, featuring three kinds of cation channels, was obtained through an ionothermal reaction. Investigation on its temperature-dependent conductivity indicates the contribution of order and disorder of the Emim(+) (Emim(+) = 1-ethyl-3-methyl imidazolium bromide) in the channel to its conductivity.
Methylation of DNA nucleobases is an important control mechanism in biology applied, for example, in the regulation of gene expression. The effect of methylation on the intermolecular interactions between guanine molecules is studied through an interplay between scanning tunneling microscopy (STM) and density functional theory with empirical dispersion(More)
Two new metal-organic frameworks (1-2) were ionothermally obtained by the reaction of a biphenyltetracarboxylic sodium (Na4BPTC) ligand and M(OOCCH3)2 (M = Co(1) and Mn(2)). Crystal structure analysis reveals that 1 is a Co3Na6 unit-based three dimensional heterometallic MOF, while 2 exhibits a {Mn(COO)n} chain-based three-dimensional framework.(More)
To find an effective strategy for the capture and decomposition of nitrous oxide (N(2)O) is very important in order to protect the ozone layer and control the effects of global warming. Based on first-principles calculations, such a strategy is proposed by the systemic study of N(2)O interaction with pristine and Al (or Ga)-doped graphene, and N(2)O(More)
By utilizing well-designed bifunctional ligands derived from 1H-imidazole-4,5-dicarboxylic acid, magnetic coordination polymers (CPs) that exhibit slow magnetic relaxation at the low temperature regions were constructed and further structurally characterized. In 1, 1D cobalt-carboxyl chains were stabilized in the final structure. In contrast, by adjusting(More)
A nanosized Gd6Ni3 cluster-based two-dimensional 3d-4f heterometallic coordination polymer has been synthesized under hydrothermal conditions using a mixture of H4PMIDA (H4PMIDA = N-(phosphonomethyl) iminodiacetic acid), Gd(ClO4)3 and Ni(CH3COO)2·4H2O. An electrical property investigation reveals that the coordination polymer exhibits a proton conductivity.
Monodisperse metal clusters provide a unique platform for investigating magnetic exchange within molecular magnets. Herein, the core-shell structure of the monodisperse molecule magnet of [Gd52 Ni56 (IDA)48 (OH)154 (H2 O)38 ]@SiO2 (1 a@SiO2 ) was prepared by encapsulating one high-nuclearity lanthanide-transition-metal compound of [Gd52 Ni56 (IDA)48 (OH)154(More)
The anisotropy of polarization in a 1D copper(II)-based coordination polymer was investigated experimentally and theoretically for the first time, revealing that the origin of the ferroelectricity and its anisotropic nature are closely related to the coordination geometry of the metal ion and the packing mode of the coordination polymer.
Three metal-organic frameworks, [M(3)(ip)(4)][EMIm](2) (M = Co 1, Ni 2, Mn 3, H(2)ip = isophthalic acid, EMIm = 1-ethyl-3-methyl imidazolium) were prepared from an ionic liquid medium. All the compounds feature the same (4(24))(6(4)) topology based on linear trinuclear clusters as eight-connected nodes. Compounds 1 and 2 are isostructural, while compound 3(More)