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Prof. Catherine Housecroft
Department of Chemistry, University of Basel, Building 1096, Mattenstrasse 24a, CH-4058 Basel, Switzerland

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0 chemical education
0 Light harvesting using inorganic coordination complexes as dyes in dye-sensitized solar cells (DSCs)
0 Development of emissive complexes for application in light-emitting electrochemical cells (LECs)
0 Water splitting and water oxidation catalysts
0 Functional coordination polymers and networks

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Water splitting and water oxidation catalysts

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Editorial
Published: 28 July 2021 in Chemistry
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This themed issue of Chemistry is in honor of Professor Christoph Janiak on the occasion of his 60th birthday, and celebrates his innovative contributions to the fields of supramolecular chemistry, coordination polymers, networks and metal-organic frameworks, inorganic/organic hybrid materials and inorganic materials from ionic liquids

ACS Style

Catherine Housecroft. Coordination Polymers and Metal-Organic Frameworks: Structures and Applications—A Themed Issue in Honor of Professor Christoph Janiak on the Occasion of His 60th Birthday. Chemistry 2021, 3, 831 -833.

AMA Style

Catherine Housecroft. Coordination Polymers and Metal-Organic Frameworks: Structures and Applications—A Themed Issue in Honor of Professor Christoph Janiak on the Occasion of His 60th Birthday. Chemistry. 2021; 3 (3):831-833.

Chicago/Turabian Style

Catherine Housecroft. 2021. "Coordination Polymers and Metal-Organic Frameworks: Structures and Applications—A Themed Issue in Honor of Professor Christoph Janiak on the Occasion of His 60th Birthday." Chemistry 3, no. 3: 831-833.

Editorial
Published: 27 July 2021 in Chemistry
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This Special Issue of Chemistry is dedicated to Dr. Howard D. Flack (1943–2017), a renowned crystallographer who transformed the way in which, by using single crystal X-ray diffraction, we are able to determine the absolute structure of a crystalline material, and thereby determine the absolute configuration of molecular species within the material

ACS Style

Catherine Housecroft; Katharina Fromm. Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter. Chemistry 2021, 3, 818 -820.

AMA Style

Catherine Housecroft, Katharina Fromm. Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter. Chemistry. 2021; 3 (3):818-820.

Chicago/Turabian Style

Catherine Housecroft; Katharina Fromm. 2021. "Memorial Issue Dedicated to Dr. Howard D. Flack: The Man behind the Flack Parameter." Chemistry 3, no. 3: 818-820.

Journal article
Published: 10 July 2021 in Inorganics
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The isomers 4′-(4-(trifluoromethyl)phenyl)-4,2′:6′,4″-terpyridine (1), 4′-(3-(trifluoromethyl)phenyl)-4,2′:6′,4″-terpyridine (2), 4′-(4-(trifluoromethyl)phenyl)-3,2′:6′,3″-terpyridine (3), and 4′-(3-(trifluoromethyl)phenyl)-3,2′:6′,3″-terpyridine (4) have been prepared and characterized. The single crystal structures of 1 and 2 were determined. The 1D-polymers [Cu2(hfacac)4(1)2]n·2nC6H4Cl2 (Hhfacac = 1,1,1,5,5,5-hexafluoropentane-2,4-dione), [Cu(hfacac)2(2)]n·2nC6H5Me, [Cu2(hfacac)4(3)2]n·nC6H4Cl2, [Cu2(hfacac)4(3)2]n·nC6H5Cl, and [Cu(hfacac)2(4)]n·nC6H5Cl have been formed by reactions of 1, 2, 3 and 4 with [Cu(hfacac)2]·H2O under conditions of crystal growth by layering and four of these coordination polymers have been formed on a preparative scale. [Cu2(hfacac)4(1)2]n·2nC6H4Cl2 and [Cu(hfacac)2(2)]n·2nC6H5Me are zig-zag chains and the different substitution position of the CF3 group in 1 and 2 does not affect this motif. Packing of the polymer chains is governed mainly by C–F...F–C contacts, and there are no inter-polymer π-stacking interactions. The conformation of the 3,2′:6′,3″-tpy unit in [Cu2(hfacac)4(3)2]n·nC6H4Cl2 and [Cu(hfacac)2(4)]n·nC6H5Cl differs, leading to different structural motifs in the 1D-polymer backbones. In [Cu(hfacac)2(4)]n·nC6H5Cl, the peripheral 3-CF3C6H4 unit is accommodated in a pocket between two {Cu(hfacac)2} units and engages in four C–Hphenyl...F–Chfacac contacts which lock the phenylpyridine unit in a near planar conformation. In [Cu2(hfacac)4(3)2]n·nC6H4Cl2 and [Cu(hfacac)2(4)]n·nC6H5Cl, π-stacking interactions between 4′-trifluoromethylphenyl-3,2′:6′,3″-tpy domains are key packing interactions, and this contrasts with the packing of polymers incorporating 1 and 2. We use powder X-ray diffraction to demonstrate that the assemblies of the coordination polymers are reproducible, and that a switch from a 4,2′:6′,4″- to 3,2′:6′,3″-tpy metal-binding unit is accompanied by a change from dominant C–F...F–C and C–F...H–C contacts to π-stacking of arene domains between ligands 3 or 4.

ACS Style

Giacomo Manfroni; Simona Capomolla; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. Isomeric 4,2′:6′,4″- and 3,2′:6′,3″-Terpyridines with Isomeric 4′-Trifluoromethylphenyl Substituents: Effects on the Assembly of Coordination Polymers with [Cu(hfacac)2] (Hhfacac = Hexafluoropentane-2,4-dione). Inorganics 2021, 9, 54 .

AMA Style

Giacomo Manfroni, Simona Capomolla, Alessandro Prescimone, Edwin Constable, Catherine Housecroft. Isomeric 4,2′:6′,4″- and 3,2′:6′,3″-Terpyridines with Isomeric 4′-Trifluoromethylphenyl Substituents: Effects on the Assembly of Coordination Polymers with [Cu(hfacac)2] (Hhfacac = Hexafluoropentane-2,4-dione). Inorganics. 2021; 9 (7):54.

Chicago/Turabian Style

Giacomo Manfroni; Simona Capomolla; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. 2021. "Isomeric 4,2′:6′,4″- and 3,2′:6′,3″-Terpyridines with Isomeric 4′-Trifluoromethylphenyl Substituents: Effects on the Assembly of Coordination Polymers with [Cu(hfacac)2] (Hhfacac = Hexafluoropentane-2,4-dione)." Inorganics 9, no. 7: 54.

Journal article
Published: 30 June 2021 in CHIMIA International Journal for Chemistry
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The Platform Chemistry of the Swiss Academy of Sciences SCNAT is a small component in the Swiss network of education and research. The platform board analyses the education and research scene in Switzerland in order to identify issues that can be addressed by projects or initiatives or by coordinating efforts of others.

ACS Style

Leo Merz; Catherine E. Housecroft. SCNAT Platform Chemistry. CHIMIA International Journal for Chemistry 2021, 75, 559 -560.

AMA Style

Leo Merz, Catherine E. Housecroft. SCNAT Platform Chemistry. CHIMIA International Journal for Chemistry. 2021; 75 (6):559-560.

Chicago/Turabian Style

Leo Merz; Catherine E. Housecroft. 2021. "SCNAT Platform Chemistry." CHIMIA International Journal for Chemistry 75, no. 6: 559-560.

Journal article
Published: 03 June 2021 in Materials
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The effects of different I2 concentrations and different ionic liquids (ILs) in the electrolyte on the performances of dye-sensitized solar cells (DSCs) containing an iron(II) N-heterocyclic carbene dye and containing the I/I3 redox shuttle have been investigated. Either no I2 was added to the electrolyte, or the initial I2 concentrations were 0.02, 0.05, 0.10, and 0.20 M. The short-circuit current density (JSC), open-circuit voltage (VOC), and the fill factor (ff) were influenced by changes in the I2 concentration for all the ILs. For 1-hexyl-3-methylimidazole iodide (HMII), low VOC and low ff values led to poor DSC performances. Electrochemical impedance spectroscopy (EIS) showed the causes to be increased electrolyte diffusion resistance and charge transfer resistance at the counter electrode. DSCs containing 1,3-dimethylimidazole iodide (DMII) and 1-ethyl-3-methylimidazole iodide (EMII) showed the highest JSC values when 0.10 M I2 was present initially. Short alkyl substituents (Me and Et) were more beneficial than longer chains. The lowest values of the transport resistance in the photoanode semiconductor were found for DMII, EMII, and 1-propyl-2,3-dimethylimidazole iodide (PDMII) when no I2 was added to the initial electrolyte, or when [I2] was less than 0.05 M. Higher [I2] led to decreases in the diffusion resistance in the electrolyte and the counter electrode resistance. The electron lifetime and diffusion length depended upon the [I2]. Overall, DMII was the most beneficial IL. A combination of DMII and 0.1 M I2 in the electrolyte produced the best performing DSCs with an average maximum photoconversion efficiency of 0.65% for a series of fully-masked cells.

ACS Style

Mariia Becker; Catherine Housecroft; Edwin Constable. Electrolyte Tuning in Iron(II)-Based Dye-Sensitized Solar Cells: Different Ionic Liquids and I2 Concentrations. Materials 2021, 14, 3053 .

AMA Style

Mariia Becker, Catherine Housecroft, Edwin Constable. Electrolyte Tuning in Iron(II)-Based Dye-Sensitized Solar Cells: Different Ionic Liquids and I2 Concentrations. Materials. 2021; 14 (11):3053.

Chicago/Turabian Style

Mariia Becker; Catherine Housecroft; Edwin Constable. 2021. "Electrolyte Tuning in Iron(II)-Based Dye-Sensitized Solar Cells: Different Ionic Liquids and I2 Concentrations." Materials 14, no. 11: 3053.

Review
Published: 23 May 2021 in Molecules
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The use of divergent 4,2′:6′,4″- and 3,2′:6′,3″-terpyridine ligands as linkers and/or nodes in extended coordination assemblies has gained in popularity over the last decade. However, there is also a range of coordination polymers which feature 2,2′:6′,2″-terpyridine metal-binding domains. Of the remaining 45 isomers of terpyridine, few have been utilized in extended coordination arrays. Here, we provide an overview of coordination polymers and networks containing isomers of terpyridine and either zinc(II) and cadmium(II). Although the motivation for investigations of many of these systems is their luminescent behavior, we have chosen to focus mainly on structural details, and we assess to what extent assemblies are reproducible. We also consider cases where there is structural evidence for competitive product formation. A point that emerges is the lack of systematic investigations.

ACS Style

Catherine Housecroft; Edwin Constable. Isomers of Terpyridine as Ligands in Coordination Polymers and Networks Containing Zinc(II) and Cadmium(II). Molecules 2021, 26, 3110 .

AMA Style

Catherine Housecroft, Edwin Constable. Isomers of Terpyridine as Ligands in Coordination Polymers and Networks Containing Zinc(II) and Cadmium(II). Molecules. 2021; 26 (11):3110.

Chicago/Turabian Style

Catherine Housecroft; Edwin Constable. 2021. "Isomers of Terpyridine as Ligands in Coordination Polymers and Networks Containing Zinc(II) and Cadmium(II)." Molecules 26, no. 11: 3110.

Editorial
Published: 08 April 2021 in Chemistry
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The description of supramolecular chemistry as “chemistry beyond the molecule” (Jean-Marie Lehn, 1987 Nobel Lecture and Gautam R

ACS Style

Catherine Housecroft. Supramolecular Chemistry in the 3rd Millennium. Chemistry 2021, 3, 509 -510.

AMA Style

Catherine Housecroft. Supramolecular Chemistry in the 3rd Millennium. Chemistry. 2021; 3 (2):509-510.

Chicago/Turabian Style

Catherine Housecroft. 2021. "Supramolecular Chemistry in the 3rd Millennium." Chemistry 3, no. 2: 509-510.

Research article
Published: 26 March 2021 in The Journal of Physical Chemistry C
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Material nanostructuring and optical phenomena on a nanoscale such as plasmonic effects and light scattering have been widely studied for improving the solar-to-hydrogen efficiency of photoelectrochemical (PEC) water-splitting electrodes. In this work, we report a method for analyzing the contributions of optical effects from nanostructures for enhancing the PEC performances. Electromagnetic simulations are performed for the precise calculation of generated power density in a semiconductor material. In addition, the transport and transfer of photogenerated charges to the electrolyte are modeled by using the conservation of minority carriers. The surface loss parameter, diffusion length, and doping density of the semiconductor material are determined by fitting the model to an incident photon to current efficiency (IPCE) curve experimentally measured on the bare reference photoelectrode. These parameters are then used to compute the IPCE spectra of the photoelectrode for which an optical enhancement strategy is used, such as nanostructuring or plasmonics. The method is validated using published experimental data. The calculated IPCE enhancement ratio originating from optical effects is in quantitative agreement with experimental observations for both periodic and random optical structures. The model can be used to study in detail the key enhancement mechanisms for the IPCE from optical nanostructures and, in particular, discriminate between optical and nonoptical (e.g., catalytic) enhancement.

ACS Style

Luc Driencourt; Benjamin Gallinet; Catherine E. Housecroft; Sören Fricke; Edwin C. Constable. Modeling Enhanced Performances by Optical Nanostructures in Water-Splitting Photoelectrodes. The Journal of Physical Chemistry C 2021, 125, 7010 -7021.

AMA Style

Luc Driencourt, Benjamin Gallinet, Catherine E. Housecroft, Sören Fricke, Edwin C. Constable. Modeling Enhanced Performances by Optical Nanostructures in Water-Splitting Photoelectrodes. The Journal of Physical Chemistry C. 2021; 125 (13):7010-7021.

Chicago/Turabian Style

Luc Driencourt; Benjamin Gallinet; Catherine E. Housecroft; Sören Fricke; Edwin C. Constable. 2021. "Modeling Enhanced Performances by Optical Nanostructures in Water-Splitting Photoelectrodes." The Journal of Physical Chemistry C 125, no. 13: 7010-7021.

Journal article
Published: 25 March 2021 in Crystals
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We have prepared and characterized 1,4-dibromo-2,5-bis(2-phenylethoxy)benzene (1) and 1,4-dibromo-2,5-bis(3-phenylpropoxy)benzene (2). Their single-crystal structures confirm that, at the molecular level, they are similar with the phenylalkoxy chains in extended conformations. However, there are significant differences in packing interactions. The packing in 1 is dominated by C–Br...π(arene) interactions, with each Br located over one C–C bond of the central arene ring of an adjacent molecule. In contrast, the packing of molecules of 2 involves a combination of C–H...Br hydrogen bonds, Br...Br interactions, and arene–arene π-stacking. The single-crystal structures of both orthorhombic and triclinic polymorphs of 1 have been determined and the packing interactions are shown to be essentially identical.

ACS Style

Giacomo Manfroni; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. 1,4-Dibromo-2,5-bis(phenylalkoxy)benzene Derivatives: C–Br...π(arene) Versus C–H...Br and Br...Br Interactions in the Solid State. Crystals 2021, 11, 325 .

AMA Style

Giacomo Manfroni, Alessandro Prescimone, Edwin Constable, Catherine Housecroft. 1,4-Dibromo-2,5-bis(phenylalkoxy)benzene Derivatives: C–Br...π(arene) Versus C–H...Br and Br...Br Interactions in the Solid State. Crystals. 2021; 11 (4):325.

Chicago/Turabian Style

Giacomo Manfroni; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. 2021. "1,4-Dibromo-2,5-bis(phenylalkoxy)benzene Derivatives: C–Br...π(arene) Versus C–H...Br and Br...Br Interactions in the Solid State." Crystals 11, no. 4: 325.

Research article
Published: 16 March 2021 in The Journal of Physical Chemistry B
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We report on monolayer-to-bilayer transitions in 2D metal–organic networks (MONs) from amphiphiles supported at the water–air interface. Functionalized calix[4]arenes are assembled through the coordination of selected transition metal ions to yield monomolecular 2D crystalline layers. In the presence of Ni(II) ions, interfacial self-assembly and coordination yields stable monolayers. Cu(II) promotes 2D coordination of a monolayer which is then diffusively reorganizing, nucleates, and grows a progressive amount of second layer islands. Atomic force microscopic data of these layers after transfer onto solid substrates reveal crystalline packing geometries with submolecular resolution as they are varying in function of the building blocks and the kinetics of the assembly. We assign this monolayer-to-bilayer transition to a diffusive reorganization of the initial monolayers owing to chemical vacancies of the predominant coordination motif formed by Cu2+ ions. Our results introduce a new dimension into the controlled monolayer-to-multilayer architecturing of 2D metal–organic networks.

ACS Style

Mina Moradi; Nadia L. Lengweiler; Catherine E. Housecroft; Ludovico G. Tulli; Henning Stahlberg; Thomas A. Jung; Patrick Shahgaldian. Coordination-Driven Monolayer-to-Bilayer Transition in Two-Dimensional Metal–Organic Networks. The Journal of Physical Chemistry B 2021, 125, 4204 -4211.

AMA Style

Mina Moradi, Nadia L. Lengweiler, Catherine E. Housecroft, Ludovico G. Tulli, Henning Stahlberg, Thomas A. Jung, Patrick Shahgaldian. Coordination-Driven Monolayer-to-Bilayer Transition in Two-Dimensional Metal–Organic Networks. The Journal of Physical Chemistry B. 2021; 125 (16):4204-4211.

Chicago/Turabian Style

Mina Moradi; Nadia L. Lengweiler; Catherine E. Housecroft; Ludovico G. Tulli; Henning Stahlberg; Thomas A. Jung; Patrick Shahgaldian. 2021. "Coordination-Driven Monolayer-to-Bilayer Transition in Two-Dimensional Metal–Organic Networks." The Journal of Physical Chemistry B 125, no. 16: 4204-4211.

Review
Published: 13 March 2021 in Molecules
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1,1′-Biisoquinolines are a class of bidentate nitrogen donor ligands in the heterocyclic diimine family. This review briefly discusses their properties and the key synthetic pathways available and then concentrates upon their coordination behaviour. The ligands are of interest as they exhibit the phenomenon of atropisomerism (hindered rotation about the C1–C1′ bond). A notation for depicting the stereochemistry in coordination compounds containing multiple stereogenic centers is developed. The consequences of the chirality within the ligand on the coordination behaviour is discussed in detail.

ACS Style

Edwin Constable; Richard Hartshorn; Catherine Housecroft. 1,1′-Biisoquinolines—Neglected Ligands in the Heterocyclic Diimine Family That Provoke Stereochemical Reflections. Molecules 2021, 26, 1584 .

AMA Style

Edwin Constable, Richard Hartshorn, Catherine Housecroft. 1,1′-Biisoquinolines—Neglected Ligands in the Heterocyclic Diimine Family That Provoke Stereochemical Reflections. Molecules. 2021; 26 (6):1584.

Chicago/Turabian Style

Edwin Constable; Richard Hartshorn; Catherine Housecroft. 2021. "1,1′-Biisoquinolines—Neglected Ligands in the Heterocyclic Diimine Family That Provoke Stereochemical Reflections." Molecules 26, no. 6: 1584.

Journal article
Published: 13 February 2021 in Crystals
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The preparation and characterization of [Cu(POP)(biq)][PF6] and [Cu(xantphos)(biq)][PF6] are reported (biq = 1,1′-biisoquinoline, POP = bis(2-(diphenylphosphanyl)phenyl)ether, and xantphos = (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane). The single crystal structure of [Cu(POP)(biq)][PF6] 0.5Et2O was determined and compared to that in three salts of [Cu(POP)(bq)]+ in which bq = 2,2′-biquinoline. The P–C–P angle is 114.456(19)o in [Cu(POP)(biq)]+ compared to a range of 118.29(3)–119.60(3)o [Cu(POP)(bq)]+. There is a change from an intra-POP PPh2-phenyl/(C6H4)2O-arene π-stacking in [Cu(POP)(biq)]+ to a π-stacking contact between the POP and bq ligands in [Cu(POP)(bq)]+. In solution and at ambient temperatures, the [Cu(POP)(biq)][PF6]+ and [Cu(xantphos)(biq)]+ cations undergo several concurrent dynamic processes, as evidenced in their multinuclear NMR spectra. The photophysical and electrochemical behaviors of the heteroleptic copper (I) complexes were investigated, and the effects of changing from bq to biq are described. Short Cu···O distances within the [Cu(POP)(biq)]+ and [Cu(xantphos)(biq)]+ cations may contribute to their very low photoluminescent quantum yields.

ACS Style

Nina Arnosti; Marco Meyer; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline. Crystals 2021, 11, 185 .

AMA Style

Nina Arnosti, Marco Meyer, Alessandro Prescimone, Edwin Constable, Catherine Housecroft. Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline. Crystals. 2021; 11 (2):185.

Chicago/Turabian Style

Nina Arnosti; Marco Meyer; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. 2021. "Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline." Crystals 11, no. 2: 185.

Chapter
Published: 06 February 2021 in Structure and Bonding
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This overview describes the different roles that borane and carbaborane clusters play in the assembly of coordination polymers and networks. The review uses data in the Cambridge Structural Database as a starting point to exempify the variety of 1D, 2D, and 3D-architectures that have been described featuring borane and carbaborane cages. The roles of these clusters range from ‘space fillers’ to rigid-rods (linkers) to connecting nodes. Even as ‘space fillers’, some clusters may play a critical role, for example, the templating effects of the spatially demanding [Co(C2B9H11)2]− cage. Arguably, some of the most important roles of carbaborane clusters are as scaffolds for the design of di-, tri-, and tetratopic multifunctional carboxylate linkers. These mimic arene-centred organic linkers which are well-established as linkers or connecting nodes 2D- and 3D-networks. The different spatial demands of the cluster- versus arene-cores may lead to significant differences in the resulting architectures. Finally, the role of three-centre two-electron B–H–M interactions in the assembly of polymeric structures in the solid state is illustrated, mostly with M = alkali metal or silver(I).

ACS Style

Catherine E. Housecroft. Borane and Carbaborane Clusters Meet Coordination Polymers and Networks: In the Hole or in the Backbone? Structure and Bonding 2021, 1 -51.

AMA Style

Catherine E. Housecroft. Borane and Carbaborane Clusters Meet Coordination Polymers and Networks: In the Hole or in the Backbone? Structure and Bonding. 2021; ():1-51.

Chicago/Turabian Style

Catherine E. Housecroft. 2021. "Borane and Carbaborane Clusters Meet Coordination Polymers and Networks: In the Hole or in the Backbone?" Structure and Bonding , no. : 1-51.

Encyclopedia
Published: 05 February 2021 in Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
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Discrete coordination systems assembled from combinations of metal ions and organic ligands contrast with infinite networks and frameworks, but the fields are closely associated by their synthetic strategies. This review surveys design principles for the assembly of discrete rods (in contrast to infinite 1-dimensional coordination polymers), molecular helicates, metallogrids, metallostars, polygons (metallomacrocycles), and metallocages. Organic ligands with well-defined vectorial properties are key to directed assembly. Metal-based nodes may be mono- or multinuclear, and the principles used for directing assemblies through choice of appropriate metal center(s) are exemplified.

ACS Style

Catherine E. Housecroft; Edwin C. Constable. Discrete Systems Related to Coordination Networks and Metal-Organic Frameworks. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering 2021, 1 .

AMA Style

Catherine E. Housecroft, Edwin C. Constable. Discrete Systems Related to Coordination Networks and Metal-Organic Frameworks. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. 2021; ():1.

Chicago/Turabian Style

Catherine E. Housecroft; Edwin C. Constable. 2021. "Discrete Systems Related to Coordination Networks and Metal-Organic Frameworks." Reference Module in Chemistry, Molecular Sciences and Chemical Engineering , no. : 1.

Journal article
Published: 02 February 2021 in Chemistry
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We report the preparation and characterization of 4′-([1,1′-biphenyl]-4-yl)-3,2′:6′,3″-terpyridine (1), 4′-(4′-fluoro-[1,1′-biphenyl]-4-yl)-3,2′:6′,3″-terpyridine (2), 4′-(4′-chloro-[1,1′-biphenyl]-4-yl)-3,2′:6′,3″-terpyridine (3), 4′-(4′-bromo-[1,1′-biphenyl]-4-yl)-3,2′:6′,3″-terpyridine (4), and 4′-(4′-methyl-[1,1′-biphenyl]-4-yl)-3,2′:6′,3″-terpyridine (5), and their reactions with copper(II) acetate. Single-crystal structures of the [Cu2(μ-OAc)4L] n 1D-coordination polymers with L = 1–5 have been determined, and powder X-ray diffraction confirms that the single crystal structures are representative of the bulk samples. [Cu2(μ-OAc)4(1)] n and [Cu2(μ-OAc)4(2)] n are isostructural, and zigzag polymer chains are present which engage in π-stacking interactions between [1,1′-biphenyl]pyridine units. 1D-chains nest into one another to give 2D-sheets; replacing the peripheral H in 1 by an F substituent in 2 has no effect on the solid-state structure, indicating that bifurcated contacts (H...H for 1 or H...F for 2) are only secondary packing interactions. Upon going from [Cu2(μ-OAc)4(1)] n and [Cu2(μ-OAc)4(2)] n to [Cu2(μ-OAc)4(3)] n , [Cu2(μ-OAc)4(4)] n , and [Cu2(μ-OAc)4(5)] n ·nMeOH, the increased steric demands of the Cl, Br, or Me substituent induces a switch in the conformation of the 3,2′:6′,3″-tpy metal-binding domain, and a concomitant change in dominant packing interactions to py–py and py–biphenyl face-to-face π-stacking. The study underlines how the 3,2′:6′,3″-tpy domain can adapt to different steric demands of substituents through its conformational flexibility.

ACS Style

Dalila Rocco; Samantha Novak; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. Manipulating the Conformation of 3,2′:6′,3″-Terpyridine in [Cu2(μ-OAc)4(3,2′:6′,3″-tpy)]n 1D-Polymers. Chemistry 2021, 3, 182 -198.

AMA Style

Dalila Rocco, Samantha Novak, Alessandro Prescimone, Edwin Constable, Catherine Housecroft. Manipulating the Conformation of 3,2′:6′,3″-Terpyridine in [Cu2(μ-OAc)4(3,2′:6′,3″-tpy)]n 1D-Polymers. Chemistry. 2021; 3 (1):182-198.

Chicago/Turabian Style

Dalila Rocco; Samantha Novak; Alessandro Prescimone; Edwin Constable; Catherine Housecroft. 2021. "Manipulating the Conformation of 3,2′:6′,3″-Terpyridine in [Cu2(μ-OAc)4(3,2′:6′,3″-tpy)]n 1D-Polymers." Chemistry 3, no. 1: 182-198.

Paper
Published: 29 January 2021 in RSC Advances
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A proof-of-principle investigation of the reactivity of functionalized NPs Rh(1)[email protected] (1 = (4-([2,2′:6′,2′′-terpyridin]-4′-yl)phenyl)phosphonic acid, 1) is reported, using their catalytic activity in an alcohol oxidation in aqueous conditions water.

ACS Style

Sven A. Freimann; Alessandro Prescimone; Catherine E. Housecroft; Edwin C. Constable. Turning over on sticky balls: preparation and catalytic studies of surface-functionalized TiO2 nanoparticles. RSC Advances 2021, 11, 5537 -5547.

AMA Style

Sven A. Freimann, Alessandro Prescimone, Catherine E. Housecroft, Edwin C. Constable. Turning over on sticky balls: preparation and catalytic studies of surface-functionalized TiO2 nanoparticles. RSC Advances. 2021; 11 (10):5537-5547.

Chicago/Turabian Style

Sven A. Freimann; Alessandro Prescimone; Catherine E. Housecroft; Edwin C. Constable. 2021. "Turning over on sticky balls: preparation and catalytic studies of surface-functionalized TiO2 nanoparticles." RSC Advances 11, no. 10: 5537-5547.

Journal article
Published: 29 December 2020 in Molecules
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The preparation, characterization and electrochemical and photophysical properties of a series of desymmetrized heteroleptic [Cu(P^P)(N^N)][PF6] compounds are reported. The complexes incorporate the chelating P^P ligands bis(2-(diphenylphosphanyl)phenyl)ether (POP) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane) (xantphos), and 6-substituted 2,2′-bipyridine (bpy) derivatives with functional groups attached by –(CH2)n– spacers: 6-(2,2′-bipyridin-6-yl)hexanoic acid (1), 6-(5-phenylpentyl)-2,2′-bipyridine (2) and 6-[2-(4-phenyl-1H-1,2,3,triazol-1-yl)ethyl]-2,2′-bipyridine (3). [Cu(POP)(1)][PF6], [Cu(xantphos)(1)][PF6], [Cu(POP)(2)][PF6], [Cu(xantphos)(2)][PF6], and [Cu(xantphos)(3)][PF6] have been characterized in solution using multinuclear NMR spectroscopy, and the single crystal structure of [Cu(xantphos)(3)][PF6].0.5Et2O was determined. The conformation of the 6-[2-(4-phenyl-1H-1,2,3,triazol-1-yl)ethyl]-substituent in the [Cu(xantphos)(3)]+ cation is such that the α- and β-CH2 units reside in the xanthene ‘bowl’ of the xantphos ligand. The 6-substituent desymmetrizes the structure of the [Cu(P^P)(N^N)]+ cation and this has consequences for the interpretation of the solution NMR spectra of the five complexes. The NOESY spectra and EXSY cross-peaks provide insight into the dynamic processes operating in the different compounds. For powdered samples, emission maxima are in the range 542–555 nm and photoluminescence quantum yields (PLQYs) lie in the range 13–28%, and a comparison of PLQYs and decay lifetimes with those of [Cu(xantphos)(6-Mebpy)][PF6] indicate that the introduction of the 6-substituent is not detrimental in terms of the photophysical properties.

ACS Style

Marco Meyer; Fabian Brunner; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft. Desymmetrizing Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds: Effects on Structural and Photophysical Properties, and Solution Dynamic Behavior. Molecules 2020, 26, 125 .

AMA Style

Marco Meyer, Fabian Brunner, Alessandro Prescimone, Edwin C. Constable, Catherine E. Housecroft. Desymmetrizing Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds: Effects on Structural and Photophysical Properties, and Solution Dynamic Behavior. Molecules. 2020; 26 (1):125.

Chicago/Turabian Style

Marco Meyer; Fabian Brunner; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft. 2020. "Desymmetrizing Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds: Effects on Structural and Photophysical Properties, and Solution Dynamic Behavior." Molecules 26, no. 1: 125.

Journal article
Published: 23 December 2020 in CHIMIA International Journal for Chemistry
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Silicate and aluminosilicate minerals are hugely important in the Earth's crust; this article introduces three mineral classes and describes the origins of biogenic silica.

ACS Style

Catherine E. Housecroft. Silicates, Aluminosilicates and Biogenic Silica. CHIMIA International Journal for Chemistry 2020, 74, 1022 -1023.

AMA Style

Catherine E. Housecroft. Silicates, Aluminosilicates and Biogenic Silica. CHIMIA International Journal for Chemistry. 2020; 74 (12):1022-1023.

Chicago/Turabian Style

Catherine E. Housecroft. 2020. "Silicates, Aluminosilicates and Biogenic Silica." CHIMIA International Journal for Chemistry 74, no. 12: 1022-1023.

Review
Published: 12 September 2020 in Chemistry
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Chiral compounds have played an important role in the development of coordination chemistry. Unlike organic chemistry, where mechanistic rules allowed the establishment of absolute configurations for numerous compounds once a single absolute determination had been made, coordination compounds are more complex. This article discusses the development of crystallographic methods and the interplay with coordination chemistry. Most importantly, the development of the Flack parameter is identified as providing a routine method for determining the absolute configuration of coordination compounds.

ACS Style

Edwin C. Constable; Catherine E. Housecroft. When Stereochemistry Raised Its Ugly Head in Coordination Chemistry—An Appreciation of Howard Flack. Chemistry 2020, 2, 759 -776.

AMA Style

Edwin C. Constable, Catherine E. Housecroft. When Stereochemistry Raised Its Ugly Head in Coordination Chemistry—An Appreciation of Howard Flack. Chemistry. 2020; 2 (3):759-776.

Chicago/Turabian Style

Edwin C. Constable; Catherine E. Housecroft. 2020. "When Stereochemistry Raised Its Ugly Head in Coordination Chemistry—An Appreciation of Howard Flack." Chemistry 2, no. 3: 759-776.

Journal article
Published: 14 August 2020 in Polymers
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The preparation and characterization of the isomers rac-4′-(4-butan-2-yloxyphenyl)-3,2′:6′,3″-terpyridine (rac-2), 4′-(2-methylpropoxyphenyl)-3,2′:6′,3″-terpyridine (3) and 4′-(tert-butoxyphenyl)-3,2′:6′,3″-terpyridine (4) are reported. The compounds react with Co(NCS)2 under conditions of crystal growth at room temperature to give single crystals of [{Co(rac-2)2(NCS)2}·CHCl3]n, [Co(3)2(NCS)2]n and [{Co(4)2(NCS)2}·CHCl3]n which possess (4,4) networks, with the Co centers acting as 4-connecting nodes. Powder X-ray diffraction (PXRD) was used to confirm that the crystals chosen for single crystal X-ray diffraction were representative of the bulk samples. The detailed structures of the three networks have been compared with that of the previously reported [{Co(1)2(NCS)2}·4CHCl3]n in which 1 is 4′-(butoxyphenyl)-3,2′:6′,3″-terpyridine. Whereas the switch from 1 with the straight-chain butoxy substituent to rac-2, 3 and 4 with branched chains causes significant structural perturbation, changes in the spatial properties of the branched substituents are accommodated with subtle conformational changes in the 3,2′:6′,3″-tpy domain.

ACS Style

Dalila Rocco; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft. Straight Versus Branched Chain Substituents in 4′-(Butoxyphenyl)-3,2′:6′,3″-terpyridines: Effects on (4,4) Coordination Network Assemblies. Polymers 2020, 12, 1823 .

AMA Style

Dalila Rocco, Alessandro Prescimone, Edwin C. Constable, Catherine E. Housecroft. Straight Versus Branched Chain Substituents in 4′-(Butoxyphenyl)-3,2′:6′,3″-terpyridines: Effects on (4,4) Coordination Network Assemblies. Polymers. 2020; 12 (8):1823.

Chicago/Turabian Style

Dalila Rocco; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft. 2020. "Straight Versus Branched Chain Substituents in 4′-(Butoxyphenyl)-3,2′:6′,3″-terpyridines: Effects on (4,4) Coordination Network Assemblies." Polymers 12, no. 8: 1823.