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1.
David J. Aitken Dominique Guillaume Henri-Philippe Husson Angle Chiaroni Claude Riche 《Journal of heterocyclic chemistry》1991,28(3):705-709
The title compound, containing a new heterocyclic skeleton, was identified by X-ray crystallography as the product of condensation of (R)-phenylglycinol with an excess of formaldehyde. The molecule adopts a rigid double twist-chair conformation in both solid and solution states. 相似文献
2.
Preparation and spectroscopic studies of some cyclic urea adducts of triphenyl-tin and -lead halides
1,3-Dimethyl-2-imidazolidinone (dimethylethylene urea, DMEU) and 1,3-di- methyl-3,4,5,6-tetrahydro-2(IH)-pyrimidinone (dimethylpropylene urea, DMPU) adducts of the type Ph3SnX·L (X = Cl, Br and I), Ph3PbX·L (X = Br, I), 3Ph3PbCl·2DMEU and 2Ph3PbCl · DMPU have been prepared and characterized. Assignments are made for ν(CO) and ν(CN) frequencies in the IR, and for skeletal frequencies observed in both the IR and Raman spectra in the range 400 to 100 cm?1 Infrared measurements show that the adducts are bound through the carbonyl oxygen, and are highly dissociated in dichloromethane solution. 1H and 119Sn or 207Pb NMR measurements reveal that ligand exchange, fast on the NMR time scale, occurs in solution. Coordination of the ligand causes a large upfield shift in the 119Sn or 207Pb resonances, but Ph3MI · L have shifts similar to those for the parent iodides, indicating almost complete dissociation. Thermodynamic parameters are reported for the dissociation of Ph3SnX · DMPU (X = Cl, Br) in CH2Cl2 solution. 相似文献
3.
Polycrystalline Cu3P was successfully prepared under a wide variety of solvothermal conditions. The reaction of red phosphorus with several copper sources (copper metal, copper (I) iodide, copper (I) chloride and copper (II) chloride) at 150-200 °C for 1-2 days in water produced Cu3P. Products were examined with powder X-ray diffraction, scanning electron microscopy and energy dispersive spectroscopy. Thermal analyses and optical spectroscopy were also performed. A detailed list of reaction conditions, products and impurity phases (where applicable) are reported. 相似文献
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6.
R. Alan Aitken Nazira Karodia Tracy Massil Robert J. Young 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1)
Abstract We recently reported the thermal elimination of Ph3PO from suitably protected aminoacyl ylides 1 as a route to acetylenic amino acid analogues 2. Pyrolysis of ylides such as 3 with a free amino group takes a different course. Ethanol is eliminated to give the c h i d cyclic ylides 4 which can be viewed as 3-triphenylphosphoranylidene tetramic acids. Specific examples prepared include 4 (R = Me, Pri), the parent compound 5 (from glycine) and the six-membered ring compound 6 (from p-alanine). Using a similar approach, bicyclic ylides such as 7 (from proline) can be prepared. In the case of the glutamate derived ylide 8, thermolysis initially gives a mixturc of 9 and 10 but these both cyclise to the bicyclic product 11 with time. The structure and reactivity of these interesting cyclic ylides are now being examined. 相似文献
7.
Stanislav S. Stoyko Andrew J. Craig Joshua W. Kotchey Jennifer A. Aitken 《Acta Crystallographica. Section C, Structural Chemistry》2021,77(1):1-10
The new quaternary thiosilicate, Li2PbSiS4 (dilithium lead silicon tetrasulfide), was prepared in an evacuated fused‐silica tube via high‐temperature, solid‐state synthesis at 800 °C, followed by slow cooling. The crystal structure was solved and refined using single‐crystal X‐ray diffraction data. By strict definition, the title compound crystallizes in the stannite structure type; however, this type of structure can also be described as a compressed chalcopyrite‐like structure. The Li+ cation lies on a crystallographic fourfold rotoinversion axis, while the Pb2+ and Si4+ cations reside at the intersection of the fourfold rotoinversion axis with a twofold axis and a mirror plane. The Li+ and Si4+ cations in this structure are tetrahedrally coordinated, while the larger Pb2+ cation adopts a distorted eight‐coordinate dodecahedral coordination. These units join together via corner‐ and edge‐sharing to create a dense, three‐dimensional structure. Powder X‐ray diffraction indicates that the title compound is the major phase of the reaction product. Electronic structure calculations, performed using the full potential linearized augmented plane wave method within density functional theory (DFT), indicate that Li2PbSiS4 is a semiconductor with an indirect bandgap of 2.22 eV, which compares well with the measured optical bandgap of 2.51 eV. The noncentrosymmetric crystal structure and relatively wide bandgap designate this compound to be of interest for IR nonlinear optics. 相似文献
8.
Synthesis and Biological Evaluation of a Class of Mitochondrially‐Targeted Gadolinium(III) Agents 下载免费PDF全文
Dr. Daniel E. Morrison Dr. Jade B. Aitken Dr. Martin D. de Jonge Dr. Fatiah Issa Prof. Hugh H. Harris Prof. Louis M. Rendina 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(50):16602-16612
A structure–activity relationship study of a library of novel bifunctional GdIII complexes covalently linked to arylphosphonium cations is reported. Such complexes have been designed for potential application in binary cancer therapies such as neutron capture therapy and photon activation therapy. A positive correlation was found between lipophilicity and cytotoxicity of the complexes. Mitochondria uptake was determined by means of inductively coupled plasma mass spectrometry (ICP‐MS), and Gd uptake was determined by means of quantification using synchrotron X‐ray fluorescence (XRF) imaging. A negative correlation between lipophilicity and tumour selectivity of the GdIII complexes was demonstrated. This study highlights the delicate balance required to minimise in vitro cytotoxicity and optimise in vitro tumour selectivity and mitochondrial localisation for this new class of mitochondrially‐targeted binary therapy agents. We also report the highest in vitro tumour selectivity for any Gd agent reported to date, with a T/N (tumour/normal cell) ratio of up to 23.5±6.6. 相似文献
9.
R. Alan Aitken Bernd Fodi Michael H. Palmer Alexandra M.Z. Slawin Jing Yang 《Tetrahedron》2012,68(29):5845-5851
The structures of pyridazine N-oxide, pyrimidine N-oxide and pyrazine N-oxide have been determined by X-ray diffraction for the first time. Comparison with theoretical predictions of the equilibrium structures using the B3LYP method together with a cc-pVTZ basis set, show close agreement with the structural parameters observed, and experimental dipole moments, which suggests that the charge distribution is realistic. An ‘atoms in molecules’ (AIM) analysis of the computed wave-functions shows total electron densities rather different from the classical picture of a dative bond, whereas the same wave-functions subjected to Mulliken analysis show a more conventional view of the electron distribution. This latter procedure allows a bond dipole analysis of the N-oxide charge distribution. 相似文献
10.
K6Yb3(PS4)5 possesses two identical but interlocked three-dimensional frameworks. Each framework is realized by having Yb3+ atoms adopt both octahedral and trigonal prismatic sulfur coordination. 相似文献