87 research outputs found
Modulation of the local density of states within the -density wave theory in the underdoped cuprates
The low temperature scanning tunneling microscopy spectra in the underdoped
regime is analyzed from the perspective of coexisting -density wave and
d-wave superconducting states. The calculations are carried out in the presence
of a low concentration of unitary impurities and within the framework of the
fully self-consistent Bogoliubov-de Gennes theory, which allows local
modulations of the magnitude of the order parameters in response to the
impurities. Our theory captures the essential aspects of the experiments in the
underdoped BSCCO at very low temperatures.Comment: 4 pages, 4 eps figures, RevTex4. New added material as well as
reference
OsB9 −: An Aromatic Osmium-Centered Monocyclic Boron Ring
Transition-metal-centered monocyclic boron wheels are important candidates in the family
of planar hypercoordinate species that show intriguing structure, stability and bonding
situation. Through the detailed potential energy surface explorations of MB9
− (M Fe, Ru,
Os) clusters, we introduce herein OsB9
− to be a new member in the transition-metalcentered
borometallic molecular wheel gallery. Previously, FeB9
− and RuB9
− clusters were
detected by photoelectron spectroscopy and the structures were reported to have singlet
D9h symmetry. Our present results show that the global minimum for FeB9
− has a
molecular wheel-like structure in triplet spin state with Cs symmetry, whereas its
heavier homologues are singlet molecular wheels with D9h symmetry. Chemical
bonding analyses show that RuB9
− and OsB9
− display a similar type of electronic
structure, where the dual σ + π aromaticity, originated from three delocalized σ bonds
and three delocalized π bonds, accounts for highly stable borometallic molecular wheels
B3Al4+ : A Three-Dimensional Molecular Reuleaux Triangle
We systematically explore the potential energy surface of the B3Al4+ combination of atoms. The putative global minimum corresponds to a structure formed by an Al-4 square facing a B-3 triangle. Interestingly, the dynamical behavior can be described as a Reuleaux molecular triangle since it involves the rotation of the B-3 triangle at the top of the Al-4 square. The molecular dynamics simulations, corroborating with the very small rotational barriers of the B-3 triangle, show its nearly free rotation on the Al-4 ring, confirming the fluxional character of the cluster. Moreover, while the chemical bonding analysis suggests that the multicenter interaction between the two fragments determines its fluxionality, the magnetic response analysis reveals this cluster as a true and fully three-dimensional aromatic system.Peer reviewe
B3Al4+: A Three-Dimensional Molecular Reuleaux Triangle
We systematically explore the potential energy surface of the B3Al4+ combination of atoms. The putative global minimum corresponds to a structure formed by an Al4 square facing a B3 triangle. Interestingly, the dynamical behavior can be described as a Reuleaux molecular triangle since it involves the rotation of the B3 triangle at the top of the Al4 square. The molecular dynamics simulations, corroborating with the very small rotational barriers of the B3 triangle, show its nearly free rotation on the Al4 ring, confirming the fluxional character of the cluster. Moreover, while the chemical bonding analysis suggests that the multicenter interaction between the two fragments determines its fluxionality, the magnetic response analysis reveals this cluster as a true and fully three-dimensional aromatic system
d-d Dative Bonding Between Iron and the Alkaline-Earth Metals Calcium, Strontium, and Barium
Double deprotonation of the diamine 1,1 '-(tBuCH(2)NH)-ferrocene (1-H-2) by alkaline-earth (Ae) or Eu(II)metal reagents gave the complexes1-Ae (Ae=Mg, Ca, Sr, Ba) and1-Eu.1-Mg crystallized as a monomer while the heavier complexes crystallized as dimers. The Fe...Mg distance in1-Mg is too long for a bonding interaction, but short Fe...Ae distances in1-Ca,1-Sr, and1-Ba clearly support intramolecular Fe...Ae bonding. Further evidence for interactions is provided by a tilting of the Cp rings and the related(1)H NMR chemical-shift difference between the Cp alpha and beta protons. While electrochemical studies are complicated by complex decomposition, UV/Vis spectral features of the complexes support Fe -> Ae dative bonding. A comprehensive bonding analysis of all1-Ae complexes shows that the heavier species1-Ca,1-Sr, and1-Ba possess genuine Fe -> Ae bonds which involve vacant d-orbitals of the alkaline-earth atoms and partially filled d-orbitals on Fe. In1-Mg, a weak Fe -> Mg donation into vacant p-orbitals of the Mg atom is observed
Synthesis of a rhodium(III) dinitrogen complex using a calix[4]arene-based diphosphine ligand
The synthesis and characterisation of the rhodium(III) dinitrogen complex [Rh(2,2’-biphenyl)(CxP2)(N2)]+ are described, where CxP2 is a trans-spanning calix[4]arene-based diphosphine and the dinitrogen ligand is projected into the cavity of the macrocycle
Gene Aging Nexus: a web database and data mining platform for microarray data on aging
The recent development of microarray technology provided unprecedented opportunities to understand the genetic basis of aging. So far, many microarray studies have addressed aging-related expression patterns in multiple organisms and under different conditions. The number of relevant studies continues to increase rapidly. However, efficient exploitation of these vast data is frustrated by the lack of an integrated data mining platform or other unifying bioinformatic resource to enable convenient cross-laboratory searches of array signals. To facilitate the integrative analysis of microarray data on aging, we developed a web database and analysis platform ‘Gene Aging Nexus’ (GAN) that is freely accessible to the research community to query/analyze/visualize cross-platform and cross-species microarray data on aging. By providing the possibility of integrative microarray analysis, GAN should be useful in building the systems-biology understanding of aging. GAN is accessible at
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