| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Light, Me
University of Southampton
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (23/23 displayed)
- 2017Titanate nanotubes and nanosheets as a mechanical reinforcement of water-soluble polyamic acidcitations
- 2016An amorphous titanium dioxide metal insulator metal selector device for resistive random access memory crossbar arrays with tunable voltage margincitations
- 2016Role and optimization of the active oxide layer in TiO2-based RRAMcitations
- 2015Aza-macrocyclic complexes of Group 1 cations:synthesis, structures and density functional theory studycitations
- 2013A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoatescitations
- 2013Chromium(V) oxide trichloride, and some pentachlorido-oxido-chromate(V) salts: structures and spectroscopic characterizationcitations
- 2011The conformation of tetrafluorinated methyl galactoside anomers: crystallographic and NMR studiescitations
- 2011Synthesis and structures of mono and binuclear nickel(II) thiolate complexes of a dicompartmental pseudo-macrocycle with N(imine)2S2 and N(oxime)2S2 metal-binding sitescitations
- 2011Structural characterization of the {3[?BPMTU]+ · 3[X]- · nH2O} salts (BPMTU = 1,3-bis(3-pyridylmethyl)-2-thiourea and X = Cl, Br, I). A polychlorine network based on O ··· Cl- and OH ··· Cl- interactions
- 2009Synthesis and spectroscopic characterization of tris(O,O '-ditolyl dithiophosphato) arsenic/antimony/bismuth(III) compounds: Crystal structures of [As{S2P(OC6H4Me-m)2}3]·0.5C6H14, [Sb{S2P(OC6H4Me-m)2}3] and [Bi{S2P(OC6H4Me-m)2}3]citations
- 2009Synthesis and characterization of adducts of bis(O,O '-ditolyl/dibenzyl dithiophosphato)cobalt(II) with pyridine: Crystal structures of [Co{S2P(OC6H4Me-p)(2)}(2)(C5H5N)(2)] and [Co{S2P(OC6H4Me-p)(2)}(2)(NH3)]citations
- 2009Structural and optical studies of local disorder sensitivity in natural organic–inorganic self-assembled semiconductorscitations
- 2008Crystal structure and antitumor activity of the novel zwitterionic complex of tri-n-Butyltin(IV) with 2-thiobarbituric acidcitations
- 2006Synthesis and X-ray characterization of the organotriboroxinate salts [Me3NCH2CH2OH][Ph4B3O3] and [NEt3H][Ph3B3O3(OH)], and the X-ray structure of the triarylboroxine, (4-MeOC6H4)(3)B3O3citations
- 2006New pyridyl modified phosphines: Synthesis and late transition-metal coordination studiescitations
- 2005Structures and physical properties of new ??-BEDT-TTF tris-oxalatometallate (III) salts containing chlorobenzene and halomethane guest moleculescitations
- 2005Structures and physical properties of new β′-BEDT-TTF tris-oxalatometallate (III) salts containing chlorobenzene and halomethane guest moleculescitations
- 2004Syntheses, spectroscopic and molecular quadratic nonlinear optical properties of dipolar ruthenium(II) complexes of the ligand 1,2-phenylenebis(dimethylarsine)citations
- 2004New versatile phosphorus ligands containing SPNSO skeleton - synthesis and characterization of (SPPh2)(O2SR)NH acids (R = Me, C6H4Me-4) and their alkaline metal salts. Crystal and molecular structures of (SPPh2)(O2SR)NHcitations
- 2004Mixed valence Mn(II)/Mn(III) [3 x 3] grid complexes: structural, electrochemical, spectroscopic, and magnetic propertiescitations
- 2003Hybrid (Te, N) and (N, Te, N) ligands having pyrrolidine ring and their palladium(II) and mercury(II) complexes: synthesis and crystal structurescitations
- 2003First example of bimetallic complex of platinum(II) with a hybrid organotellurium ligand [(4-MeOC6H4Te)CH2CH2OCH2CH2CH2(2-C5H4N)] (L1) containing 20-membered metallomacrocycle ring: synthesis and crystal structurecitations
- 2001Organophosphoryl adducts of tris(pentafluorophenyl)borane; crystal and molecular structure of B(C6F5)(3)·Ph3POcitations
Places of action
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article
Aza-macrocyclic complexes of Group 1 cations:synthesis, structures and density functional theory study
Abstract
The Group 1 complexes, [M(Me6[18]aneN6)][BArF] (M = Li–Cs; Me6[18]aneN6 = 1,4,7,10,13,16-hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane; BArF = tetrakis{3,5-bis(trifluoromethyl)-phenyl}borate), are obtained in high yield by reaction of the macrocycle with M[BArF] in anhydrous CH2Cl2 solution, and characterised spectroscopically (1H, 13C{1H}, 7Li, 23Na, and 133Cs NMR), by microanalysis and, for M = Li, K, and Rb, by single crystal X-ray analysis. The structures show N6-coordination to the metal ion; the small ionic radius for Li+ leads to a puckered conformation. In contrast, the K+ ion fits well into the N6 plane, with the [BArF]? anions above and below, leading to two K+ species in the asymmetric unit (a hexagonal planar [K(Me6[18]aneN6)]+ cation and a ‘[K(Me6[18]aneN6)(?1-BArF)2]? anion’, with long axial K?F interactions). The Rb+ ion sits above the N6 plane, with two long axial Rb?F interactions in one cation and two long, mutually cis Rb?F interactions in the other. The unusual sandwich cations, [M(Me3tacn)2]+ (M = Na, K; distorted octahedral, N6 donor set) and half-sandwich cations [Li(Me3tacn)(thf)]+ (distorted tetrahedron, N3O donor set), [Li(Me4cyclen)(OH2)]+, and [Na(Me4cyclen)(thf)]+ (both distorted square pyramids with N4O donor sets) were also prepared (Me3tacn = 1,4,7-trimethyl-1,4,7-triazacyclononane, Me4cyclen = 1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane). Density functional theory (DFT) calculations, using the BP86 and B3LYP functionals, show that the accessibility of the [M(Me3tacn)2]+ sandwich cations depends strongly on the M+ ionic radius, such that it is sufficiently large to avoid steric clashing between the Me groups of the two rings, and small enough to avoid very acute N–M–N chelate angles. The calculations also show that coordination to the Group 1 cation involves significant donation of electron density from the p-orbitals on the N atoms of the macrocycle, rather than purely electrostatic interactions.