Search results for " function"

Remote Modification of Bidentate Phosphane Ligands Controlling the Photonic Properties in Their Complexes: Enhanced Performance of [Cu(RN‐xantphos)(N…

2020

A series of copper(I) complexes of the type [Cu(HN-xantphos)(N^N)][PF6] and [Cu(BnN-xantphos)(N^N)][PF6], in which N^N = bpy, Mebpy and Me2bpy, HN-xantphos = 4,6-bis(diphenylphosphanyl)-10H-phenoxazine and BnN-xantphos = 10-benzyl-4,6-bis(diphenylphosphanyl)-10H-phenoxazine is described. The single crystal structures of [Cu(HN-xantphos)(Mebpy)][PF6] and [Cu(BnN-xantphos)(Me2bpy)][PF6] confirm the presence of N^N and P^P chelating ligands with the copper(I) atoms in distorted coordination environments. Solution electrochemical and photophysical properties of the BnN-xantphos-containing compounds (for which the highest-occupied molecular orbital is located on the phenoxazine moiety) are repor…

Theoretical study of isomerism in phenoxyimine-based precursors of coordinative olefin polymerization catalysts

2010

Precursors of post-metallocene olefin polymerization catalysts, unlike their predecessors, are usually octahedral transition metal complexes with multidentate ligands. Such ligands may wrap around the central atom in many ways, thus yielding several isomeric species. For a wide range of phenoxyimine (FI) ligands with different substituents, all the theoretically predicted diastereomers of group 4 and 5 complexes are available synthetically. However, only one of the isomers is usually preferred, and this is determined by the nature of the substituents in the FI ligand. The origin and mechanism of such preference has not been completely elucidated. We attempted to describe it quantitatively o…

Experimental and Computational Study of Unique Tetranuclear µ 3 ‐Chloride and µ‐Phenoxo/Chloro‐Bridged Defective Dicubane Cobalt(II) Clusters

2016

Two tetranuclear CoII clusters [Co4(L)2(µ3-Cl)2Cl2] have been prepared by using multidentate diaminobisphenolate ligands. The solid-state structures of the complexes were determined by single-crystal X-ray diffraction. The cores of the cluster compounds can be defined as a two-vertex-deficient dicubane geometry (pseudo-dicubane). In the central unit, the cobalt(II) cations are linked through phenoxide oxygen (outer bridges) and chloride anions (inner bridges), previously unprecedented in this type of cobalt cluster. The magnetic properties were studied by both experimental and computational methods. By using a combination of techniques, we were able to determine the nature and strength of t…

General route to dissymmetric heteroannular-functionalized ferrocenyl 1,2-diphosphines: selective synthesis and characterization of a new class of tr…

2006

Several monosubstituted-cyclopentadienyl anions (A-Li) and [1,2-bis(diphenylphosphino)-4-tert-butylcyclopentadienyl]lithium (B-Li) react with FeCl2 to afford a novel class of multidentate ferroceny...

[1,2,3]Triazolo[1,5-a]pyridines. A theoretical (DFT) study of the ring-chain isomerization

2008

The ring opening isomerization of [1,2,3]triazolo[1,5-a]pyridines to the corresponding 2-pyridyl derivatives has been studied by means of DFT calculations at the B3LYP/6-31+G(d,p) computational level. The effect of the substitution as well as those of protonation, deprotonation, and lithiation on different positions has been studied. The electronic characteristics of the optimized structures have been analyzed by means of the Atoms In Molecules (AIM), Electron Localization Function (ELF), Molecular Electrostatic Potential (MEP), and Natural Bond Orbital (NBO) methodologies. © 2008 Elsevier Ltd. All rights reserved.

Depth-based methods for clustering of functional data.

2017

The problem of detecting clusters is a common issue in the analysis of functional data and some interesting intuitions from approaches relied on depth measures can be considered for construction of basic tools for clustering of curves. Motivated by recent contributions on the problem clustering and alignment of functional data, we also consider the problem of aligning a set of curves when classification procedures are implemented. The variability among curves can be interpreted in terms of two components, phase and amplitude; phase variability, or misalignment, can be eliminated by aligning the curves, according to a similarity index and a warping function. Some approaches address the misal…

Random Slicing: Efficient and Scalable Data Placement for Large-Scale Storage Systems

2014

The ever-growing amount of data requires highly scalable storage solutions. The most flexible approach is to use storage pools that can be expanded and scaled down by adding or removing storage devices. To make this approach usable, it is necessary to provide a solution to locate data items in such a dynamic environment. This article presents and evaluates the Random Slicing strategy, which incorporates lessons learned from table-based, rule-based, and pseudo-randomized hashing strategies and is able to provide a simple and efficient strategy that scales up to handle exascale data. Random Slicing keeps a small table with information about previous storage system insert and remove operations…

Search for Subsolar-Mass Ultracompact Binaries in Advanced LIGO's First Observing Run

2018

We present the first Advanced LIGO and Advanced Virgo search for ultracompact binary systems with component masses between 0.2 $M_\odot$ - 1.0 $M_\odot$ using data taken between September 12, 2015 and January 19, 2016. We find no viable gravitational wave candidates. Our null result constrains the coalescence rate of monochromatic (delta function) distributions of non-spinning (0.2 $M_\odot$, 0.2 $M_\odot$) ultracompact binaries to be less than $1.0 \times 10^6 \text{Gpc}^{-3} \text{yr}^{-1}$ and the coalescence rate of a similar distribution of (1.0 $M_\odot$, 1.0 $M_\odot$) ultracompact binaries to be less than $1.9 \times 10^4 \text{Gpc}^{-3} \text{yr}^{-1}$ (at 90 percent confidence). N…

Granulocyte cytosolic calcium in type 2 diabetes

2005

Multispectral integral imaging acquisition and processing using a monochrome camera and a liquid crystal tunable filter

2012

This paper presents an acquisition system and a procedure to capture 3D scenes in different spectral bands. The acquisition system is formed by a monochrome camera, and a Liquid Crystal Tunable Filter (LCTF) that allows to acquire images at different spectral bands in the [480, 680]nm wavelength interval. The Synthetic Aperture Integral Imaging acquisition technique is used to obtain the elemental images for each wavelength. These elemental images are used to computationally obtain the reconstruction planes of the 3D scene at different depth planes. The 3D profile of the acquired scene is also obtained using a minimization of the variance of the contribution of the elemental images at each …