- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Organic and Molecular Conductors Research
- Magnetism in coordination complexes
- Organophosphorus compounds synthesis
- Synthesis and characterization of novel inorganic/organometallic compounds
- Organometallic Complex Synthesis and Catalysis
- Cyclopropane Reaction Mechanisms
- Crystal structures of chemical compounds
- Organometallic Compounds Synthesis and Characterization
- Gold and Silver Nanoparticles Synthesis and Applications
- Nanocluster Synthesis and Applications
- Inorganic Chemistry and Materials
- Synthesis of heterocyclic compounds
- Metal complexes synthesis and properties
- Synthesis and Catalytic Reactions
- Inorganic Fluorides and Related Compounds
- Coordination Chemistry and Organometallics
- Metal-Organic Frameworks: Synthesis and Applications
- Lanthanide and Transition Metal Complexes
- Asymmetric Hydrogenation and Catalysis
- Click Chemistry and Applications
- Ferrocene Chemistry and Applications
- Synthesis and Reactions of Organic Compounds
Sheffield Hallam University
2010-2024
Universidad de Zaragoza
1997-2003
University of Manchester
1993-2003
University of Southampton
2003
University of Cambridge
1997
Durham University
1996
Slow sublimation of the dithiadiazolyl radical 1 yields crystals a new polymorph 1β (orthorhombic, space group Fdd2). Below 36 K this phase exhibits spontaneous magnetic moment, which is described in terms canted antiferromagnetism.
Magnetization, heat capacity, and neutron diffraction experiments on the \ensuremath{\beta}-phase of dithiadiazolyl radical, p-NC.${\mathrm{C}}_{6}$${\mathrm{F}}_{4}$.CNSSN., provide conclusive evidence that this system exhibits noncollinear antiferromagnetism at 35.5 K, an unprecedented temperature for organic radical. On basis magnetization powder results, coupled with theoretical calculations spin distribution within molecule, a magnetic structure compound is proposed in which...
The solid state structure of the fluorinated 1,2,3,5-dithiadiazolyl radical [p-NCC6F4[graphic omitted]]· is reported; it first dithiadiazolyl to retain its paramagnetic character in state.
Abstract Application of a binary Ga‐based catalyst system for the coupling CO 2 and aziridines to form oxazolidinones is presented. It has been possible optimize selective formation single regioisomer, in excellent yield, under relatively mild reaction conditions. The optimized successfully applied range substituted derived from styrene oxide. observed that bearing two aromatic substituents result piperazine through an unexpected dimerization reaction. These products can be selectively...
Triphenylphosphorus–dibromine is shown by X-ray crystallography to have a four-coordinate Ph3P–Br–Br 'spoke' structure and isostructural with Ph3P–I–I Ph3As–I–I; thus forcing us question the conventional belief that tertiary-organo group 15 adducts dihalogens either pentacoordinate R3EX2 or ionic [R3EX]+X– structures in solid state.
As part of a project to demonstrate the science decay, series mass spectrometry imaging experiments were performed. The aim was that decay and decomposition are only story show pictorially atoms molecules from dead plants animals incorporated into new life. Radish (Raphanus sativus) grown hydroponically using nutrient system containing 15N KNO3 (98% labeled) as source nitrogen. Plants cropped left ferment in water for 2 weeks create radish "tea", which used nitrogen second hydroponics...
Reaction of 4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione 1 with diiodine or iodine monobromide in CH2Cl2 resulted the formation molecular charge-transfer complexes 1·I2 and 1·IBr respectively. Both have been characterised crystallographically contain a linear S–I–X (X = I Br) moiety sulfur adopting tetrahedral geometry taking into account stereochemically active lone pairs. The S–I [2.716(3)] I–I [2.808(3) Å] bond lengths are similar to those reported for related thione donors. adduct is...
Nineteen diiodophosphoranes, R3PI2(R3= Ph3, substituted triaryl, mixed arylalkyl, or trialkyl), the vast majority of which have previously not been reported, are described. Their 31P{H} NMR data indicate an ionic [R3PI]I structure in CDCl3 solution, keeping with results other solution studies a limited number dihalogenophosphoranes, but solid-state 31P-{H} magic angle spinning for PhMe2 Me3) molecular four-co-ordinate R3P–I–I structure, strongly suggesting that this is common and...
Attachment of cationic groups to the surface gold nanoparticles (AuNPs) is an attractive proposition for facilitating mitochondria-targeted therapeutics and diagnostics. With this in mind we have prepared characterised AuNPs functionalised with phosphonium derived from either triarylphosphoniopropylthiosulfate zwitterions or ω-thioacetylpropyl(triphenyl)phosphonium salts; organophosphonium cations display remarkable lipophilicity are readily taken up by cells concentrated mitochondria. The...
We report the synthesis and structural characterisation of a new family stable phosphonioalkylthiosulfate zwitterions, R3P+(CH2)nS2O3− (R = Ph or Bu, n 3,4,6, 8 10) which behave as cationic masked thiolate ligands with applications in functionalisation gold nanoparticles, having potential diagnostic biorecognition systems. The were prepared by treatment ω-bromoalkylphosphonium salts sodium thiosulfate. crystal molecular structures zwitterions Ph, 3) determined. A series...
Langsames Sublimieren von 1, einem Dithiadiazolylradikal, führt zu Kristallen der β‐Phase, dieser Verbindung (Raumgruppe Fdd 2), in die kettenförmig angeordneten Moleküle durch starke intermolekulare CN … S‐Wechselwirkungen zusammengehalten werden. Unterhalb 36 K weist ein spontan entstandenes magnetisches Moment auf, welches als verkantetes antiferromagnetisches Verhalten beschrieben wird. magnified image
In CH2Cl2 solution, Ph3PS and diiodine react to form a molecular 1∶1 charge-transfer complex. The complex has been studied in solution using 31P-{H} NMR UV/VIS spectroscopy. Single-crystal X-ray diffraction solid-state studies of Ph3PS·I2 show that the structure is maintained solid phase. novel contradicts previous results which indicated (Ph3PS∶I2) could not be isolated state. I–I distance [2.823(1) Å] S–I [2.753(2) are comparable with those complexes related sulfur donors. However, shorter...
The reactions of 4,5,6,7-tetrathiocino-[1,2-b:3,4-b']-1,3,8,10-tetrasubstituted-diimidazolyl-2,9-dithiones (R(2),R'(2)-todit; 1: R=R'=Et; 2: R=R'=Ph; 3: R=Et, R'=Ph) with Br(2) exclusively afforded 1:1 and 1:2 "T-shaped" adducts, as established by FT-Raman spectroscopy single-crystal X-ray diffraction in the case complex 1·2Br(2). On other hand, compounds 1-3 molecular I(2) provided charge-transfer (CT) "spoke" among which solvated species 3·2I(2)·(1-x)I(2)·xCH(2)Cl(2) (x=0.94)...
Compounds of stoichiometry R3AsX2(R =p-MeOC6H4, Ph or Me; X = Br I; R =p-FC6H4, I), R3AsI4(R =p-FC6H4 Ph) and Ph3AsIBr have been synthesised in anhydrous diethyl ether characterised by elemental analysis Raman spectroscopy. Single-crystal X-ray diffraction studies Ph3AsBr2 showed it to possess a molecular trigonal-bipyramidal structure, contrast Ph3AsI2 which adopts the four-co-ordinate structure Ph3As-I-I. Both Me3AsI2 Me3AsBr2 Me3As-X-X, thus illustrating that R3AsX2 compounds isolated...
Tin metal powder reacts readily with both Me2SBr2 and Prn3PI2 in diethyl ether under ambient conditions, producing the novel SnBr4(SMe2)2, which contains cis trans isomers within unit cell, first complex of stoichiometry Snl4(PR3)2 to be isolated: complexes have been crystallographically characterised.
Ten new compounds of stoichiometry R3PI2[R3=(o-MeOC6H4)3, (o-MeOC6H4)2Ph, (o-MeOC6H4)Ph2, (p-FC6H4)2Ph, (p-FC6H4)Ph2, (p-CH2CHC6H4)Ph2, (CH2CHCH2)2Ph, (C6H11)Ph2, (PhCH2CH2)3 or (Me2N)3] have been prepared by the direct reaction PR3 and I2 in diethyl ether solution. The characterised Raman solid-state 31P-{H} magic angle spinning (MAS) solution NMR spectroscopy. Solid-state MAS studies indicate that predominant species is molecular 'spoke' structure R3P–I–I; however, some cases a minor peak...
The reaction of 4-ferrocenyl-1,3-dithiole-2-thione with diiodine affords an unprecedented "double" charge-transfer complex; the highly ordered ferrocenium units are held by a supramolecular polyiodide chain, and material shows evidence formation zigzag magnetic chains below 2 K.
The first extensive solid-state study of compounds formula R3PIBr [R3=(p-CIC6H4)3, Ph3, Ph2Prn, Ph2Me, PhMe2 or Bun3] has been made, most having not previously described. crystal structure Ph3PIBr shows it to be a surprisingly complex molecule containing dual occupancy the halogen sites within unit cell, existing predominantly as Ph3PIBr. Nevertheless, is clear that further example four-co-ordinate molecular 'spoke' structure, Ph3P–X–X, established for Ph3PX2(X = Br I) and Ph3ASI2. X-Ray...
Abstract 4,5‐Bis(benzoylthio)‐1,3‐dithiole‐2‐thione ( 1 ) forms molecular adducts with dibromine 2 and diiodine 3 ), which display a range of complementary primary X–X S–X secondary S ··· X bonding interactions. Compounds were characterised by X‐ray diffraction analysis FT‐Raman spectroscopy. Compound , is derived from the additive oxidation features near linear Br–S–Br moiety that coplanar dithiole‐2‐thione heterocycle. The S–Br bonds in are asymmetric; asymmetry arises mainly through...
Unactivated zinc powder reacts with R3Pl2(RMe, Et, Prn, Bun) to yield the unexpected 1 : adducts of zinc(II), Zn(R3P)I2; X-ray crystal structure triethylphosphine complex shows it be dimeric [Zn(PEt3)l2]2.
Gold nanoparticles functionalised with triphenylarsonium alkylthiolate ligands have been synthesised; both arsonium show comparatively low cytotoxicity in cells.
The crystal structure of an iodine monobromide adduct dimethyl 1,3-dithiole-2-thione-4,5-dicarboxylate reveals a layered polymeric network donor and acceptor molecules linked primarily through S⋯I–Br charge-transfer hydrogen bonded interactions.