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Perfectly Alternating and Regioselective Copolymerization of Carbonyl Sulfide and Epoxides by Metal-Free Lewis Pairs
The preparation of perfectly alternating and regioslective copolymers derived from the copolymerization of carbonyl sulfide (COS) and epoxides by metal-free Lewis pair catalysts composed of a Lewis base (amidine, guanidine, or quaternary onium salts) and a Lewis acid (triethyl borane) is described. Colorless and highly transparent copolymers of poly(monothiocarbonat...
http://www.polymer.cnt//ss/xhzhang/publicationsshow_10588.html |
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Adsorption and desulfurization of thiophene and its hydrogenated derivatives on Pt(111): implication for the mechanism of hydrodesulfurization over noble metal catalysts.
Desulfurization of thiophene and its hydrogenated derivatives on Pt(111) are studied using self-consistent periodic density functional theory (DFT), and the hydrodesulfurization network is mapped out. On Pt(111), thiophene has two types of adsorption configurations (parallel cross-bridge and partially tilted bridge-hollow), and for its hydrogenated derivates, the molecule is gradually lifted up ...
http://www.polymer.cnt//ss/luxiaoqing/publicationsshow_10231.html |
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Reaction pathways of Sc+ (3D, 1D) and Fe+ (6D, 4F) with acetone in the gas phase: metal ion oxidation and acetone deethanization.
The reactions of Sc(+) ((3)D, (1)D) and Fe(+) ((6)D, (4)F) with acetone have been investigated in both high- and low-spin states using density functional theory. Our calculations have indicated that oxidation of Sc(+) by acetone can take place by (1) metal-mediated H migration, (2) direct methyl-H shift and/or (3) C=O insertion. The most energetically favorable pathway is metal-mediated H migratio...
http://www.polymer.cnt//ss/luxiaoqing/publicationsshow_10225.html |
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Gas-phase reactions of Co+ with ethylamine: A theoretical approach to the reaction mechanisms of transition metal ions with primary amines.
We report herein a comprehensive study of gas-phase reactions of Co(+) with ethylamine using density functional theory. Geometries and energies for all the stationary points involved in the reactions are investigated at the B3LYP/6-311++G(2df,2pd) level. Six different "classical" N and "nonclassical" ethyl-H attached isomers are found for the Co(+)-ethylamine complexes. The classical complexes a...
http://www.polymer.cnt//ss/luxiaoqing/publicationsshow_10179.html |
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Enhanced uptake and selectivity of CO2 adsorption in a hydrostable metal-organic frameworks via incorporating methylol and methyl groups
A new methylol and methyl functionalized metal–organic frameworks (MOFs) QI-Cu has been designed and synthesized. As a variant of NOTT-101, this material exhibits excellent CO2 uptake capacities at ambient temperature and pressure, as well as high CH4 uptake capacities. The CO2 uptake for QI-Cu is high, up to 4.56 mmol g–1 at 1 bar and 293 K, which is top-ranked among MOFs for CO2 adsorption and...
http://www.polymer.cnt//ss/zhaoxuebo/publicationsshow_9861.html |
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Gas Storage and Diffusion through Nano-Cages and Windows in Porous Metal Organic Framework Cu2(2,3,5,6-tetramethylbenzene-1,4-diisophthalate)(H2O)2
A novel nanoporous metal–organic framework NPC-4 with excellent thermal stability was assembled from 2,3,5,6-tetramethylbenzene-1,4-diisophthalate (TMBDI) and the paddle-wheel secondary building unit (Cu2(COO)4). The porous structure comprises a single type of nanoscale cage (16 ? diameter) interconnected by windows (5.2 × 6.3 ?), which give a high pore volume. CH4 (195–290 K), CO2 (198...
http://www.polymer.cnt//ss/zhaoxuebo/publicationsshow_9858.html |
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High CO2/N2 and CO2/CH4 Selectivity in A Flexible Chiral Metal Organic Framework Assembled from Difunctional Tridentate Ligand
A metal-organic framework with chiral pores and decorated imidazole and methyl groups was constructed. Upon activation, this MOF undergoes a pore contraction and shows very high selectivity for CO2/N2 and CO2/CH4, indicating a synergistic effect of dynamic pores and functional groups.
http://www.polymer.cnt//ss/zhaoxuebo/publicationsshow_9852.html |
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High gas storage capacities and stepwise adsorption in a UiO type metal-organic framework incorporating Lewis basic bipyridyl sites
A UiO type MOF with Lewis basic bipyridyl sites was synthesized and structurally characterized. After being activated by Soxhlet-extraction, this MOF exhibits high storage capacities for H2, CH4and CO2, and shows unusual stepwise adsorption for liquid CO2 and solvents, indicating a sequential filling mechanism on different adsorption sites.
http://www.polymer.cnt//ss/zhaoxuebo/publicationsshow_9843.html |
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Structure Tuning of Metal Phosphonates: Syntheses, Structures and Characterizations of Two New Lead (II) Trisphosphonates
Two lead (II) trisphosphonates, [Pb3(H3L1)2(H2O)] (1) and [Pb5(HL2)(H3L2)(H4L2)(H2O)2][(H2O)2] (2), have been synthesized from two trisphosphonate ligands and characterized by EA, IR, UV–vis, TGA, powder and single-crystal X-ray diffraction methods. The single-crystal X-ray diffraction analyses reveal that they both feature three-dimensional framework structures. The lead (II) ions are mainly fiv...
http://www.polymer.cnt//ss/zhaoxuebo/publicationsshow_9841.html |
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A Series of Exceptionally Robust Luminescent Coordination Polymers based on a Bipyridinedicarboxylate Ligand and Rare Earth Metal Ions
A series of three-dimensional rare-earth coordination polymers, [M2(bpdc)3(H2O)4] (M = Y [1], Sm [2], Eu [3], Gd [4], Tb [5], Dy [6], Er [7], and Yb [8]) were synthesized by solvothermal reactions of 2,2′-bipyridine-5,5′-dicarboxylate (bpdc) with corresponding metal salts. Single-crystal and powder X-ray diffraction analyses demonstrated that these coordination polymers are isostructural. The ca...
http://www.polymer.cnt//ss/zhaoxuebo/publicationsshow_9839.html |
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