989 resultados para MOLECULAR CLUSTERS


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Postgrowth rapid thermal annealing was performed on InGaAs/GaAs quantum dots grown by molecular beam epitaxy. The blue shift of the emission peak and the narrowing of the luminescence line width are observed at lower annealing temperature. However, when the annealing temperature is increased to 850 degrees C, the emission line width becomes larger. The TEM image of this sample shows that the surface becomes rough, and some large clusters are formed, which is due to the interdiffusion of In, Ga atoms at the InGaAs/GaAs interface and to the strain relaxation. The material is found to degrade dramatically when the annealing temperature is further increased to 900 degrees C, while emission from quantum dots can still be detected, along with the appearance of the emission from excited state. (C) 2000 Elsevier Science B.V. All rights reserved.

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The formation of arsenic clusters in a system of vertically aligned InAs quantum islands on GaAs during thermal annealing under As overpressure has been investigated by transmission electron microscopy (TEM) and Raman scattering. Semicoherent arsenic clusters, identified by TEM examination, have been formed on the surface of the GaAs capping layer. The existence of arsenic precipitates is also confirmed by Raman spectra, showing new peaks from the annealed specimen at 256 and 199 cm(-1). These peaks have been ascribed to A(1g) and E-g Raman active phonons of crystalline arsenic. The phenomenon can be understood by a model of strain-induced selected growth under As overpressure. (C) 1999 American Institute of Physics. [S0003-6951(99)02045-8].

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This paper presents an introduction to the application of ion traps and storage devices for cluster physics. Some experiments involving cluster ions in trapping devices such as Penning traps, Paul traps, quadrupole or multipole linear traps are briefly discussed. Electrostatic ion storage rings and traps which allow for the storage of fast ion beams without mass limitation are presented as well. We also report on the recently developed mini-ring, a compact electrostatic ion storage ring for cluster, molecular and biomolecular ion studies.

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A supramolecular complex Zn-2[Cl2H8N2](2)[C28H2OS4O16][H2O](17.7) (1), has been synthesized under hydrothermal conditions, and characterized by IR spectroscopy, TG and DTA analysis, and single crystal X-ray diffraction. Unprecedented (H2O)(10) water clusters consisting of cyclic pentamer (H2O)(5) and five dangling water molecules were observed in the lattice.

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A 'discrete' (H2O)(16) cluster, featuring four basic cyclic nine-membered rings and a twelve-membered ring, illustrates a new mode of supramolecular association of water molecules.

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Four transition-metal-amine complexes incorporating indium thioarsenates with the general formula M(tren)InAsS4 (M=Mn, Co, and Zn) and a noncondensed AsS33- unit have been prepared and characterized. Single-crystal X-ray diffraction analyses show that compound 1 (M=Mn) crystallizes in the triclinic crystal system (space group: P (1) over bar) and consists of a one-dimensional (1D) inorganic (1)(infinity){[InAsS4](2-)} chain and [Mn(tren)](2+) groups bonded to the opposite sides of an eight-membered In2As2S4 ring along the backbone of the infinite inorganic chains. Compounds 2 (M=Mn), 3 (M=Zn), and 4 (M=Co) are isomorphous molecular compounds. They all crystallize in the monoclinic crystal system (space group: P2(1)/c). The Mn2+ cation of [Mn(tren)](2+) in 1 has a distorted octahedral environment, while the transition-metal cations of [M(tren)](2+) in the other three compounds locate in trigonal-bipyramidal environments.

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A multinary molecular nanocluster, in which a T3 supertetrahedral [Sn4Ga4Zn2Se20](8-) core was neutralized and covalently terminated by four [(TEPA)Mn](2+) (TEPA = tetraethylenepentamine) metal complexes, was synthesized and characterized. The cluster is assembled into, through hydrogen bonding and van de Waals forces, a superlattice that is chemically stable and free of strong covalent coupling. The four different cations were distributed within the cluster in such a manner that both the local charge balance and global charge compensation by the metal complex could be satisfied.

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Reactions of Ln(III) acetate (Ln = Pr and Nd) and a polydentate Schiff-base in a mixture of methanol and acetonitrile resulted in the unprecedented assembly of novel Ln(10) aggregates containing two Ln(5) pentagons templated by mu(5)-CO32-, introduced via spontaneous fixation of atmospheric carbon dioxide. Magnetic analysis using an expression including the ligand field effects and molecular field approximation indicates weak antiferromagnetic coupling between the metal ions. This synthetic approach may represent a promising new route toward the design of new lanthanide clusters and novel multifunctional materials.

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Possible structures for Al2W and AlW2 clusters and their anions were presented and studied by use of density functional theory B3LYP at various spin multiplicities. The proposed three structures are triangular form with C-2v symmetry; linear structure with D (infinity h) symmetry; and linear structure with C (infinity v) symmetry. The calculated results indicate that structures with C-2v symmetry are the most stable for both neutral clusters and their anions. For Al2W, C-2v Symmetry at spin multiplicity 5 is the ground state, while for its anion, doublet is the lowest. For AlW2 and its anion, doublet and triplet are the ground states, respectively.

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Geometries, vibrational frequencies, electron affinities, ionization potentials and dissociation energies of the title clusters in both neutral and positively and negatively charged states were studied by use of density functional theory. For both neutral and charged species, different initial isomers were studied in order to determine the structure with the lowest energy. Vibrational analysis was also performed in order to characterize these isomers. For Ta-2, Ta-Ta metallic bond is strengthened by adding or removing an electron, i.e. the charged species are much more stable than the neutral counterpart. For Ta-3, equilateral triangle with D-3h symmetry has the lowest energy for both neutral and charged species (near equilateral triangle for cation). TaO and its charged species have much larger dissociation energy compared with other tantalum oxides. For Ta2O and TaO2. structure with C-2v symmetry is much more stable than linear chains. For Ta3O, planar structure with doubly bridging oxygen atoms of C-2v, symmetry is the global minimum for both neutral and charged species. While for TaO3, three-dimensional structures are favored for both neutral (C-1 symmetry) and charged species (C-3v symmetry).

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Possible conformers for AunPdm (n = 1-4, m = -1, 0, 1) clusters have been presented and studied by use of density functional theory. The results indicate that for n = 2, linear conformer with C-infinityv symmetry is the most stable for anion species, while for cation and neutral species, conformer with C-2v symmetry is the most stable. For n = 3, 4, conformers with C-2v symmetry (kite-shape) are energetically favored. The calculated electron affinities (EAs) and vertical detachment energies (VDEs) are in good agreement with experiments for n = 1-4. It is also interesting to note that for even n (n = 2, 4), the most stable conformers do not give the best agreement between calculated and experimental EA and VDE values, while for odd n (n = 3), the lowest energy conformer also gives the best agreement. The ionization potentials (IPs) of AunPd clusters are calculated as well.

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The sample solution of KNO3 is ejected into the gas phase and the ionic dusters of K+(KNO3)(n) and NO3-(KNO3)(m) we formed and observed by electrospray ionization mass spectrometry (ESIMS). The full mass spectra of both the positive ion and the negative ion show that the differences between each peak nearby are all about 101(m/z), which correspond to the molecular weight of KNO3. The general formula of the ionic clusters can be assigned as K+ (KNO3)(n) and NO3--(KNO3)(m).

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LaC2 (with doublet and quartet states) and LaC2+ (with singlet and triplet states) cluster have been studied by using the B3LYP (Becke three-parameter/Lee-Yang-Parr) density functional method and the HF (Hartree-Fock) method with LANLIDZ basis set. For each cluster, four possible isomers in C-2v, C-s, C-proportional to v and D-proportional to h symmetries have been investigated. The results indicate that structures in C-s symmetry are local minima in all cases and, in most cases (particularly for high spin states), our initial guess in C-s symmetry converges to structures in C-2v symmetry. For the isomers in C-2v, C-proportional to v and D-proportional to h symmetries, local minima were found to be dependent on the method and spin state. The two clusters may also exist as linear chains. The ordering of the binding energies for the isomers in all spin states is C-s similar to C-2v < C-proportional to v < D-proportional to h. The ionization potential of LaC2 is reported as well. (C) 1998 Elsevier Science B.V.

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Molecular markers were used to identify and assess cultivars of Laminaria Lamx. and to delineate their phylogenetic relationships. Random amplified polymorphic DNA (RAPD) analysis was used for detection. After screening, 11 primers were selected and they yielded 133 bands in all, of which approximately 99.2% were polymorphic. The genetic distances between gametophytes ranged from 0.412 to 0.956. Two clusters were formed with the unweighted pair group method with arithmetic mean (UPGMA) dendrogram based on the simple matching coefficient. All cultivars of Laminaria japonica Aresch. used for breeding in China fell into one cluster. L. japonica from Japan, L. saccharina (L.) Lam., and L. angustata Kjellm. formed the other cluster and showed higher genetic variation than L. japonica from China. Nuclear ribosomal DNA (rDNA) sequences, including internal transcribed spacers (ITS1 and ITS2) were studied and aligned. The nucleotides of the sequences ranged from 634 to 668, with a total of 692 positions including TTS1, ITS2, and the 5.8S coding region. The phylogenetic tree obtained by the neighbor-joining method favored, to some extent, the results revealed by RAPD analysis. The present study indicates that RAPD and ITS analyses could be used to identify and assess Laminaria germplasm and to distinguish some species and, even intraspecies, in Laminaria.