A5014634951- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Metal complexes synthesis and properties
- Magnetism in coordination complexes
- Organometallic Complex Synthesis and Catalysis
- Crystal structures of chemical compounds
- Metal-Organic Frameworks: Synthesis and Applications
- Asymmetric Hydrogenation and Catalysis
- Research Data Management Practices
- Lanthanide and Transition Metal Complexes
- Synthesis and Characterization of Heterocyclic Compounds
- Molecular Sensors and Ion Detection
- Synthesis and characterization of novel inorganic/organometallic compounds
- Scientific Computing and Data Management
- Synthesis and biological activity
- Organic and Molecular Conductors Research
- Catalytic Cross-Coupling Reactions
- Analytical Chemistry and Chromatography
- Chemical Synthesis and Analysis
- Organophosphorus compounds synthesis
- Ferrocene Chemistry and Applications
- Synthetic Organic Chemistry Methods
- Coordination Chemistry and Organometallics
- Porphyrin and Phthalocyanine Chemistry
University of Southampton
2016-2025
Engineering and Physical Sciences Research Council
2015-2024
Cheikh Anta Diop University
2021
Public Health England
2020
Institute of Crystallography
2019
City University of New York
2019
The Graduate Center, CUNY
2019
Hebrew University of Jerusalem
2019
University of Science and Technology of China
2019
Uppsala University
2019
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSuperconducting and Semiconducting Magnetic Charge Transfer Salts: (BEDT-TTF)4AFe(C2O4)3.cntdot.C6H5CN (A = H2O, K, NH4)Mohamedally Kurmoo, Anthony W. Graham, Peter Day, Simon J. Coles, Michael B. Hursthouse, Jason L. Caulfield, John Singleton, Francis Pratt, William Hayes, Laurent Ducasse, Philippe GuionneauCite this: Am. Chem. Soc. 1995, 117, 49, 12209–12217Publication Date (Print):December 1, 1995Publication History Published online1 May...
Crystallography is no longer solely the preserve of specialist, a situation that has implications for operation crystallographic service facilities. This mini-review provides an overview challenges in operating facility from perspective and experience UK National Service – modern mid-range facility. Examples chemical research generating greatest crystallography state-of-the-art tools, hardware, facilities expertise are required to address them highlighted. An current trends single crystal...
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...
The FAIR principles have been widely cited, endorsed and adopted by a broad range of stakeholders since their publication in 2016. By intention, the 15 guiding do not dictate specific technological implementations, but provide guidance for improving Findability, Accessibility, Interoperability Reusability digital resources. This has likely contributed to adoption principles, because individual stakeholder communities can implement own solutions. However, it also resulted inconsistent...
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...
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
The use of Wilkinson's catalyst with diisopropylphosphinite ligands acting as cocatalysts allows the catalytic orthoarylation phenols [Eq. (1)], a process that relies on CH activation phenol has been incorporated into cocatalyst by transesterification.
The addition of aromatic formamidines to dihaloalkanes proceeds in air under mildly basic conditions and polar solvents afford the corresponding amidinium salts high yields. To demonstrate wide scope this methodology, several five-, six-, seven-membered saturated N-heterocyclic have been prepared. free carbenes 7-Mes, 7-Xyl, 7-Pri, 6-Mes, 6-Xyl also isolated as stable white solids, for first time solid state structures determined (7-Mes 7-Xyl). syntheses characterization their Ag(I) halide...
The new salts trans-4′-(dimethylamino)-N-R-4-stilbazolium hexafluorophosphate (R = methyl, Me 1, phenyl, Ph 2, 2,4-dinitrophenyl, DNPh 3, 2-pyrimidyl, Pym 4, Scheme 1) have been prepared. Their electronic absorption spectra show intense, visible intramolecular charge-transfer bands, the energy (Emax) of which decreases in order R > Pym. This trend arises from steadily increasing electron deficiency pyridinium ring, a phenomenon also observed cyclic voltammetric and 1H nuclear magnetic...
The first molecular capsule based on an [Ir(ppy)2]+ unit (ppy = 2-phenylatopyridine) has been prepared. Following the development of a method to resolve rac-[(Ir(ppy)2Cl)2] into its enantiopure forms, homochiral Ir6L4 octahedra where obtained with tritopic 1,3,5-tricyanobenzene. Solution studies and X-ray diffraction show that these capsules encapsulate four six associated counteranions can be exchanged for other anionic guests. Initial photophysical have shown ensemble weakly coordinating...
The role of heteratoms in defining the conformation conjugated structures is discussed.
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...
Chiral complexes of palladium, 1, with the new tridentate 'pincer' ligand 2,6-lutidinyl-biscarbene (C⁁N⁁C), have been prepared; in solid state they exhibit helical C2 symmetrical structures which are persistent solution at least up to 80 °C; chiral nature 1 has established by NMR methods using Pirkle's acid as a discriminating agent; racemic mixtures highly active catalysts Heck coupling reactions.
Abstract Four series of dyes with dimethylamino electron donor groups and N ‐R‐pyridinium (R = methyl Me, phenyl Ph, 2,4‐dinitrophenyl 2,4‐DNPh, or 2‐pyrimidyl 2‐Pym) acceptors are studied as their hexafluorophosphate salts. The intramolecular charge‐transfer (ICT) energies ( E max ) these compounds decrease within each the in order R Me > Ph 2,4‐DNPh 2‐Pym, electron‐accepting ability pyridinium ring increases. Hyper‐Rayleigh scattering femtosecond 1300 800 nm lasers yields...
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...
Crystallisation of flexible dipyridyl ligands with Cd(NO3)2·6H2O or CdSO4·6H2O gives co-ordination networks composition [Cd(NO3)2(Py2CH2)2] 1 [Py2CH2 = 1,1-bis(4-pyridyl)methane]; [Cd2(NO3)4(Py2C3H6)4(H2O)] 2 [Py2C3H6 1,3-bis(4-pyridyl)propane]; [Cd2(SO4)2(Py2C3H6)3(H2O)2.7]·4.5H2O 3; [Cd(NO3)2(Py2C4H8)(H2O)2] 4 [Py2C4H8 1,4-bis(4-pyridyl)butane]; [Cd2(NO3)4(Py2C5H10)3(H2O)] 5 [Py2C5H10 1,5-bis(4-pyridyl)pentane] and [Cd(NO3)2(Py2C6H12)2] 6 [Py2C6H12 1,6-bis(4-pyridyl)hexane]. The compounds...
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 crystal structures of anion complexes two nitroaromatic functionalised isophthalamides are reported; the reveal assembly around anions in solid-state and case fluoride complex receptor 2, formation a double helix.
The complexes [Pt(bipy){CC-(4-pyridyl)}(2)] (1) and [Pt(tBu(2)bipy){CC-(4-pyridyl)}(2)] (2) [Pt(tBu(2)-bipy)(CC-phen)(2)] (3) all contain a Pt(bipy)(diacetylide) core with pendant 4-pyridyl (1 2) or phenanthroline units which can be coordinated to {Ln(diketonate)(3)} fragments (Ln = lanthanide) make covalently-linked Pt(II)/Ln(III) polynuclear assemblies in the Pt(II) chromophore, absorbing visible region, used sensitise near-infrared luminescence from Ln(III) centres. For 1 2...
Bulky triarylphosphite ligands undergo facile orthometallation reactions with palladium and platinum precursors. The crystal structure of an example the resultant palladacycles has been determined. reactivity some metallacycles HCl, monodentate bidentate phosphines sodium diethyldithiocarbamate investigated, a adduct palladacycle is presented. palladacyclic complexes prove to be extremely active catalysts for Suzuki coupling aryl bromides boronic acids. They can also used as alkylboronic...
In this article, we describe a series of new complex salts in which electron-donating cis-{Ru(II)(NH3)(4)}(2+) centers are connected to two electron-accepting N-methyl/aryl-pyridinium groups. These V-shaped complexes contain either monodentate 4,4'-bipyridyl-derived ligands or related chelates based on 2,2':4,4":4',4'''-quaterpyridyl and have been characterized by using various techniques including electronic absorption spectroscopy cyclic voltammetry. Molecular quadratic nonlinear optical...
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...