A novel 2-D interlinking zigzag-chain d–f mixed-metal coordination polymer generated from an organometallic ligand

Yang, Yang Yi; Wong, Wing Tak

doi:10.1039/b206823k

Cited by 43 publications

(15 citation statements)

References 36 publications

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“…In the NEMD simulations, we can obtain the interfacial shear stress τ between IL and nanochannel as a function of the slip velocity v s , which are summarized in Figure a,b. From the results of τ and v s for nanochannel with different d and c OH , the fact can be found that τ will increase gradually with v s in an inverse hyperbolic sine (IHS) relation as τ = τ 0 asinh( v s / v 0 ) according to the transistor state theory . Based on the IHS relation, two fitted parameters, τ 0 and v 0 , can be obtained, which is related to the friction coefficient via λ = τ 0 / v 0 .…”

Section: Resultsmentioning

confidence: 99%

Molecular Insights into the Regulatable Interfacial Property and Flow Behavior of Confined Ionic Liquids in Graphene Nanochannels

Wang

Zhang

et al. 2019

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The understanding of confined structure and flow property of ionic liquid (IL) in a nanochannel are essential for the efficient application of ILs in the green chemical processes. In this work, the ionic structure and various flow behaviors of ILs inside graphene nanochannels via molecular dynamics simulations are shown. The effect of the nanochannel structure on confined flow is explored, showing that the width mainly heightens the viscosity while the oxidation degree primarily enhances the interfacial friction coefficient. Tuning the width and oxidation degree of nanochannel, three different flow behaviors including Poiseuille, partial plunger and full plunger flow can be achieved, where the second one does not occur in water or other organic solvents. To describe the special flow behavior, an effective influence extent of the nanochannel (w EIE) is defined, whose value can distinguish the above flows effectively. Based on w EIE, the phase diagrams of flow behavior for the nanochannel structure and pressure gradient are obtained, showing that the critical pressure gradient decreases with width and increases with the oxidation degree. Based on the quantitative relations between confined structures, viscosity, friction coefficient, flow behavior, and nanochannel structure, the intrinsic mechanism of regulating the flow behavior and rational design of nanochannel are finally discussed.

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Section: Resultsmentioning

confidence: 99%

Molecular Insights into the Regulatable Interfacial Property and Flow Behavior of Confined Ionic Liquids in Graphene Nanochannels

Wang

Zhang

et al. 2019

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“…The use of organometallic ligands for the design of new materials often leads to the formation of heteropolymetallic species benefiting from the specific properties of the various metallic centers . This field is dominated by ferrocenyl-, − (η 5 -cyclopentadienyl)metal-, and (η 6 -benzene)metal-containing pendant or linkage groups. − The commonly reported properties are, for instance, luminescence (also including near-IR emission), magneticity, catalysis, and recently theranostics. , Coordination polymers, , metal organometallic frameworks (MOMFs), , and nanocomposites, which are the entries to functional materials, have also been prepared using these types of ligands. Concurrently, the synthesis and investigations of other types of organometallic ligands were reported, and multiple functional materials, including MOMFs, − have been designed.…”

Section: Introductionmentioning

confidence: 99%

A Platinum(II) Organometallic Building Block for the Design of Emissive Copper(I) and Silver(I) Coordination Polymers

2020

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The tritopic organometallic ligand trans-MeSC6H4CCPt(PMe3)2(CN) (L1) was prepared from cis-PtCl2(PMe3)2 and p-ethynyl(methyl thioether)benzene. Its versatility was shown with the formation of [CuX(L1)] n coordination polymers (CPs) with CuX salts in MeCN (X = I (CP1), CN (CP2), SCN (CP3)). These CPs were characterized by X-ray crystallography, thermal gravimetric analysis (TGA), and IR and Raman spectroscopy. CP1 consists of a 1D head-to-tail chain formed by tricoordinated −CN–CuI(η2-CC)– linkages, whereas CP2 is built upon a central (CuCN) n zigzag chain bearing dangling L1s held by −CN–Cu bonds. Finally, CP3 exhibits 2D sheets secured by Cu–NC–/–(Me)S–Cu bondings and transversal Cu–S–CN–Cu bridges. Concurrently, the CPs formed with AgX (X = NO3 – (CP4 and CP5), CF3CO2 – (CP6) PF6 – (CP7)) exhibits 2D sheets with guest molecules (anion, solvents) inside the tight pores or between layers. These new materials are emissive: L1 (λ0–0 ∼465 nm), CP1–CP7 (500 < λmax < 620 nm). Their photophysical properties (absorption and emission spectra, emission lifetimes (∼0.2 < τe < 120 μs), and quantum yields in the solid state at 77 and 298 K) were analyzed. The various natures of the emissive excited states were addressed by density functional theory (DFT) and time-dependent DFT (TDDFT) computations. For CP1, this state is a triplet halide or pseudohalide to ligand charge transfer 3XLCT (CT = charge transfer; X = I; L = L1) and for CP2, it is 3XLCT (X = CN; L = L1). However, for CP3, it is 3XLCT (X = SCN; L = L1). For CP4, the T1 state is described as a [MeSC6H4(η2-CC)-Ag(NO3)]2 → [Pt]/CCC6H4SMe CT.

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“…N, O, P and S, that can be bonded directly to the ferrocenyl moiety (Š tě pnička, 2008). The direct interaction of the ferrocenyl group in (III) with additional metal centres either through bridging and/or chelation modes is facilitated in supramolecular assemblies (refcode XUKFEO, Yang & Wong, 2002;refcode HOQSEL, Cotton et al, 1999;refcode MOBHAM, Bera et al, 2002;refcodes EDATUZ/EDAVAH/EDAVEL Masello et al, 2007). Over 100+ structures containing the 1,1 0 -Fc(CO 2 ) 2 core are available on the Cambridge Structural Database (Allen, 2002;CSD version 5.30; four updates) and many of these systems are unusual supramolecular assemblies comprising two or more metals and with several ligands.…”

Section: Introductionmentioning

confidence: 99%

1,1′-Fc(4-C₆H₄CO₂Et)₂and its unusual salt derivative withZ′ = 5,catena-[Na⁺]₂[1,1′-Fc(4-C₆H₄CO₂⁻)₂]·0.6H₂O [1,1′-Fc = (η⁵-(C₅H₄)₂Fe]

Gallagher

Alley

Brosnan

et al. 2010

Acta Crystallogr Sect B

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The neutral diethyl 4,4'-(ferrocene-1,1'-diyl)dibenzoate, Fe[eta(5)-(C(5)H(4))(4-C(6)H(4)CO(2)Et)](2) (I), yields (II) (following base hydrolysis) as the unusual complex salt poly[disodium bis[diethyl 4,4'-(ferrocene-1,1'-diyl)dibenzoate] 0.6-hydrate] or [Na(+)](2)[Fe{eta(5)-(C(5)H(4))-4-C(6)H(4)CO(2)(-)}(2)].0.6H(2)O with Z' = 5. Compound (I) crystallizes in the triclinic system, space group P1, with two molecules having similar geometry in the asymmetric unit (Z' = 2). The salt complex (II) crystallizes in the orthorhombic system, space group Pbca, with the asymmetric unit comprising poly[decasodium pentakis[diethyl 4,4'-(ferrocene-1,1'-diyl)dibenzoate] trihydrate] or [Na(+)](10)[Fe{eta(5)-(C(5)H(4))-4-C(6)H(4)CO(2)(-)}(2)](5).3H(2)O. The five independent 1,1'-Fc[(4-C(6)H(4)CO(2))(-)](2) dianions stack in an offset ladder (stepped) arrangement with the ten benzoates mutually oriented cisoid towards and bonded to a central layer comprising the ten Na(+) ions and three water molecules [1,1'-Fc = eta(5)-(C(5)H(4))(2)Fe]. The five dianions differ in the cisoid orientations of their pendant benzoate groups, with four having their -C(6)H(4)- groups mutually oriented at interplanar angles from 0.6 (3) to 3.2 (3) degrees (as pi...pi stacked C(6) rings) and interacting principally with Na(+) ions. The fifth dianion is distorted and opens up to an unprecedented -C(6)H(4)- interplanar angle of 18.6 (3) degrees through bending of the two 4-C(6)H(4)CO(2) groups and with several ionic interactions involving the three water molecules (arranged as one-dimensional zigzag chains in the lattice). Overall packing comprises two-dimensional layers of Na(+) cations coordinated mainly by the carboxylate O atoms, and one-dimensional water chains. The non-polar Fc(C(6)H(4))(2) groups are arranged perpendicular to the layers and mutually interlock through a series of efficient C-H...pi stacking contacts in a herringbone fashion to produce an overall segregation of polar and non-polar entities.

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A novel 2-D interlinking zigzag-chain d–f mixed-metal coordination polymer generated from an organometallic ligand

Abstract: A flexible organometallic ligand, 1,1'-ferrocenedicarboxylic acid, was incorporated in the self-assembly of a d-f mixed-metal coordination polymer featuring a 2-D interlinking zigzag-chain network and bearing two kinds of bridging conformations.

Cited by 43 publications

References 36 publications

Molecular Insights into the Regulatable Interfacial Property and Flow Behavior of Confined Ionic Liquids in Graphene Nanochannels

Molecular Insights into the Regulatable Interfacial Property and Flow Behavior of Confined Ionic Liquids in Graphene Nanochannels

A Platinum(II) Organometallic Building Block for the Design of Emissive Copper(I) and Silver(I) Coordination Polymers

1,1′-Fc(4-C₆H₄CO₂Et)₂and its unusual salt derivative withZ′ = 5,catena-[Na⁺]₂[1,1′-Fc(4-C₆H₄CO₂⁻)₂]·0.6H₂O [1,1′-Fc = (η⁵-(C₅H₄)₂Fe]

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A novel 2-D interlinking zigzag-chain d–f mixed-metal coordination polymer generated from an organometallic ligand

Abstract: A flexible organometallic ligand, 1,1'-ferrocenedicarboxylic acid, was incorporated in the self-assembly of a d-f mixed-metal coordination polymer featuring a 2-D interlinking zigzag-chain network and bearing two kinds of bridging conformations.

Cited by 43 publications

References 36 publications

Molecular Insights into the Regulatable Interfacial Property and Flow Behavior of Confined Ionic Liquids in Graphene Nanochannels

Molecular Insights into the Regulatable Interfacial Property and Flow Behavior of Confined Ionic Liquids in Graphene Nanochannels

A Platinum(II) Organometallic Building Block for the Design of Emissive Copper(I) and Silver(I) Coordination Polymers

1,1′-Fc(4-C6H4CO2Et)2and its unusual salt derivative withZ′ = 5,catena-[Na+]2[1,1′-Fc(4-C6H4CO2−)2]·0.6H2O [1,1′-Fc = (η5-(C5H4)2Fe]

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1,1′-Fc(4-C₆H₄CO₂Et)₂and its unusual salt derivative withZ′ = 5,catena-[Na⁺]₂[1,1′-Fc(4-C₆H₄CO₂⁻)₂]·0.6H₂O [1,1′-Fc = (η⁵-(C₅H₄)₂Fe]