A5010098450- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Magnetism in coordination complexes
- Metal-Organic Frameworks: Synthesis and Applications
- Crystal structures of chemical compounds
- Metal complexes synthesis and properties
- Organometallic Complex Synthesis and Catalysis
- Lanthanide and Transition Metal Complexes
- Organic and Molecular Conductors Research
- Synthesis and biological activity
- Chemical Synthesis and Analysis
- Molecular Sensors and Ion Detection
- Asymmetric Hydrogenation and Catalysis
- Organic Light-Emitting Diodes Research
- Luminescence and Fluorescent Materials
- Supramolecular Chemistry and Complexes
- Ferrocene Chemistry and Applications
- Synthetic Organic Chemistry Methods
- Asymmetric Synthesis and Catalysis
- Catalytic Cross-Coupling Reactions
- Analytical Chemistry and Chromatography
- Porphyrin and Phthalocyanine Chemistry
- Crystal Structures and Properties
- Fluorine in Organic Chemistry
University of Southampton
2016-2025
Engineering and Physical Sciences Research Council
2015-2024
Institute of Crystallography
2019
Bangor University
2007-2018
University of Huddersfield
2016
Division of Chemistry
2015
University of Birmingham
2010-2011
California Institute of Technology
2006-2010
KU Leuven
2006-2010
University of Manchester
2005-2010
It is shown for the first time that liquid crystal behavior can be induced through halogen bonding. Thus, mixing nonmesomorphic components 4-alkoxystilbazole with pentafluoroiodobenzene leads to a 1:1 halogen-bonded complex whose integrity by X-ray single-crystal analysis and which shows thermotropic smectic A nematic phases.
Co-crystal screening is routinely undertaken using high-throughput solution growth. We report a low- to medium-throughput approach, encompassing both melt and crystallization step as route the identification of co-crystals. Prior studies, growth was included utilizing Kofler mixed fusion method. This method allowed elucidation thermodynamic landscape within binary phase diagram found increase overall efficiency. The pharmaceutically acceptable adduct nicotinamide selected screened against...
Herein we report the photocontrol of cucurbit[8]uril (CB[8])-mediated supramolecular polymerization azobenzene-containing monomers. The CB[8] polymers were characterized both in solution and solid state. These host-guest complexes can be reversibly switched between highly thermostable photostationary states. Moreover, a remarkable stabilization Z-azobenzene was achieved by complexation, allowing for structural characterization
Square peg in a round ball: Squaramides are shown to be potent transmembrane anion transporters for both chloride and bicarbonate, performing better than the thiourea urea analogues. Studies into nature of this transport point mobile carrier mechanism, where squaramide delivers cargo across lipid bilayer (see scheme, green sphere=anion). These drug-like molecules provide platform development new generation anion-transport systems. Detailed facts importance specialist readers published as...
Rigid organic iminospherand cages are rendered meltable by multiple alkylation; below their melting points they can take the form of permanently porous crystals, crystals unstable to desolvation or non-porous glassy solids depending on chain length and branching; as low 50 °C observed a fully Newtonian liquid phase is obtained above 80 °C. Thin fibres be drawn out from molten phase.
The transport of anions across biological membranes by small molecules is a growing research field due to the potential therapeutic benefits these compounds. However, little known about exact mechanism which drug-like work and molecular features make good transporter. An extended series 1-hexyl-3-phenylthioureas were synthesized, fully characterized (NMR, mass spectrometry, IR single crystal diffraction) their anion binding properties assessed using 1H NMR titration techniques variety...
Amide-based organic cage cavities are, in principle, ideal enzyme active site mimics. Yet, cage-promoted organocatalysis has remained elusive, large part due to synthetic accessibility of robust and functional scaffolds. Herein, we report the acyl transfer catalysis properties robust, hexaamide cages solvent. Cage structural variation reveals that esterification with an anhydride carrier occurs only bifunctional featuring internal pyridine motifs two crucial antipodal carboxylic acid groups....
Integrating symmetry-reducing methods into self-assembly methodology is desirable to efficiently realise the full potential of molecular cages as hosts and catalysts. Although techniques have been explored for metal organic (coordination) cages, rational strategies develop low symmetry remain limited. In this article, we describe rules program shape cage cavities by designing edge pieces that bias orientation amide linkages. We apply synthesise with well-defined cavities, supported evidence...
This paper reports the first BEDT-TTF radical-cation salts with D 3 symmetry tris-coordinated racemic lanthanide( iii ) anions. It is also crystallographic determination of nine-coordinate tris(chelidonato)terbate and -dysprosate
A series of thiophene oligomers bearing core phenylene and fluorinated units has been synthesized as potential semiconductor materials for organic field-effect transistors (OFETs). Polymerization these compounds achieved using Stille oxidative coupling methods. Functionalization the unit with fluorine atoms a marked effect on self-assembly electronic properties parent materials: optical band gaps highest occupied molecular orbital levels are affected introduction result combination inductive...
A range of ortho-metalated catalysts with alkylphosphine ligands the general formula [Pd(X)(kappa(2)N,C-C6H4CH2NMe2)(PR3)] have been synthesized, and crystal structures five examples (R = Cy, X TFA, OTf, Cl, I; PR3 PCy2(o-biphenyl), TFA) determined. The two dimeric precursor complexes, [{Pd(mu-TFA)(kappa(2)N,C-C6H4CH2NMe2)}(2)] [{Pd(TFA)(kappa(2)N,C-C6H4CH=(NPr)-Pr-i)}(2)], also application phosphine adducts to both Suzuki coupling Buchwald-Hartwig amination reactions aryl chloride...
The synthesis of the novel seven-membered N-heterocyclic carbene (NHC) 1,3-dicyclohexyl-1,3-diazepan-2-ylidene (3) and its 5,6-dioxolane derivative 4 is reported their coordination chemistry with Rh(I), Ir(I), Pt(0) discussed. M(cod)(3)Cl, where M = Rh Ir, complexes display a high rotation barrier at room temperature about M−CNHC bond, whereas for M(CO)2(3)Cl Pt(nbe)2(3) rapid ligand observed ambient temperature. infrared ν(CO) values Rh(I) Ir(I) derivatives give measure donor ability new...
A series of chromophoric salts has been prepared in which electron-rich 4-(dimethylamino)phenyl groups are connected via polyenyl chains to electron-accepting N-methylpyridinium or 3-methylbenzothiazolium units. These compounds have characterized by using various techniques, including electronic absorption spectroscopy and cyclic voltammetry. Single-crystal X-ray structures determined for several salts, all crystallize centrosymmetrically. Molecular quadratic nonlinear optical (NLO)...
A chiral ferrocene-based boronic acid interacts with (R)- and (S)-Binol to form two complexes that exhibit significantly different electrode potentials. This difference in redox behavior can be exploited demonstrate principle how high levels of enantiomeric excess a mixture enantiomers quantified read-out using an electrochemical method.
Abstract Artificial light-harvesting systems have until now not been able to self-assemble into structures with a large photon capture cross-section that upon stimulus reversibly can switch an inactive state. Here we describe simple and robust F L -dipeptide construct which meso -tetraphenylporphyrin has appended self-assembles fibrils, platelets or nanospheres depending on the solvent composition. The functioning as quenched antennas, give intense excitonic couplets in electronic circular...
Abstract Single-crystal semiconductors have been at the forefront of scientific interest for more than 70 years, serving as backbone electronic devices. Inorganic single crystals are typically grown from a melt using time-consuming and energy-intensive processes. Organic semiconductor crystals, however, can be solution-based methods room temperature in air, opening up possibility large-scale production inexpensive electronics targeting applications ranging field-effect transistors...
The synthesis of T8 silsesquioxane cages from trialkoxysilanes using tetra n-butylammonium fluoride is described. yields are in the range 20–95%, which a great improvement on other literature routes. This methodology enables wide functionalised to be prepared. X-ray crystal structures three new cages, octacyclopentylsilsesquioxane, octaisobutylsilsesquioxane and octa(4-carboxymethyl-3,3-dimethylbutyl)silsesquioxane also reported.
The synthesis of a range phosphinite ligands PR2(OAr) (R = Ph, iPr), their simple complexes with palladium(II) and palladacyclic has been investigated. crystal structure one the complexes, [{Pd(μ2-Cl){κ2-P,C-PiPr2(OC6H2-2,4-tBu2)}2], determined. show extremely high activity in Suzuki coupling aryl bromide substrates phenylboronic acid can also be used alkylboronic substrates. A comparison phosphinite-based catalysts equivalent phosphite- phosphine-based systems highlights superior activity....
In view of the range properties required from supramolecular materials, there is clearly a need for new strong quadruple hydrogen bonded modules, which can be used in polymer or copolymer synthesis via self- hetero-association complimentary units. A cytosine-based module has been prepared applications using straightforward synthetic approach. The cytosine was designed such that it does not undergo tautomeric changes observed with ureidopyrimidinones. capable forming assemblies both solution...
New liquid crystals are reported that formed from non-mesomorphic components assembled using both halogen and hydrogen bonding.
In this article, we describe a series of complexes with electron-rich cis-{RuII(NH3)4}2+ centers coordinated to two pyridyl ligands bearing N-methyl/arylpyridinium electron-acceptor groups. These V-shaped dipolar species are new, extended members class chromophores first reported by us (Coe, B. J. et al. Am. Chem. Soc. 2005, 127, 4845−4859). They have been isolated as their PF6− salts and characterized using various techniques including 1H NMR electronic absorption spectroscopies cyclic...
Eight dithiolato-, diselenolato-, and mixed S,Se-Fe2(CO)6 complexes based on peri-substituted naphthalene phenanthrene dichalcogenides are prepared by oxidative insertion of Fe3(CO)12 into the dichalcogen bonds 2,7-dimethoxynaphtho[1,8-cd][1,2]dithiole, three naphtho[1,8-cd][1,2]diselenoles, two naphtho[1,8-cd][1,2]thiaselenoles, phenanthro[1,10-cd][1,2]dithiole, phenanthro[1,10-cd][1,2]diselenole. Complexes characterized 1H, 13C NMR, UV/vis, IR spectroscopy X-ray analysis. The effect...
A range of biologically compatible, fluorescent rhenium-naphthalimide conjugates, based upon the rhenium fac-tricarbonyl core, has been synthesized. The ligands are a N-functionalized, 4-amino-derived 1,8-naphthalimide core and incorporate dipicolyl amine binding unit to chelate Re(I); structural variations accord nature alkylated imide with ethyl ester glycine (L(1)), 3-propanol (L(2)), diethylene glycol (L(3)), benzyl alcohol (L(4)) variants. species in visible region between 505 537 nm...