Search results for "CONSTANTS"

Relativistic DFT Calculation of (119)Sn Chemical Shifts and Coupling Constants in Tin Compounds.

2006

The nuclear shielding and spin-spin coupling constants of (119)Sn in stannane, tetramethylstannane, methyltin halides Me4-nSnXn (X = Cl, Br, I; n = 1-3), tin halides, and some stannyl cations have been investigated computationally by DFT methods and Slater all-electron basis sets, including relativistic effects by means of the zeroth order regular approximation (ZORA) method up to spin-orbit coupling. Calculated (119)Sn chemical shifts generally correlate well with experimental values, except when several heavy halogen atoms, especially iodine, are bound to tin. In such cases, calculated chemical shifts are almost constant at the scalar (spin-free) ZORA level; only at the spin-orbit level i…

Binding properties of mono-6-amino-beta-cyclodextrin towards p-nitroaniline derivatives: a polarimetric study

s-wave charmed baryon resonances from a coupled-channel approach with heavy quark symmetry

2009

We study charmed baryon resonances which are generated dynamically within a unitary meson-baryon coupled channel model that treats the heavy pseudoscalar and vector mesons on equal footing as required by heavy-quark symmetry. It is an extension of recent SU(4) models with t-channel vector meson exchanges to a SU(8) spin-flavor scheme, but differs considerably from the SU(4) approach in how the strong breaking of the flavor symmetry is implemented. Some of our dynamically generated states can be readily assigned to recently observed baryon resonances, while others do not have a straightforward identification and require the compilation of more data as well as an extension of the model to d-w…

Effects of preorganization in the chelation of UO22+ by hydroxamate ligands: cyclic PIPO– vs linear NMA–

2018

International audience; Many siderophores incorporate as bidentate chelating subunits linear and more seldomly cyclic hydroxamate groups. In this work, a comparative study of the uranyl binding properties in aqueous solution of two monohydroxamic acids, the prototypical linear N-methylacetohydroxamic acid (NMAH) and the cyclic analog 1-hydroxypiperidine-2-one (PIPOH), has been carried out. The complex [UO2(PIPO)(2)(H2O)] crystallized from slightly acidic water solutions (pH < 5), and its molecular structure was determined by X-ray diffraction. The uranyl speciation in the presence of both ligands has been thoroughly investigated in a 0.1 M KNO3 medium at 298.2 K by the combined use of four …

eta1-Allypalladium complexes with tridentate PNP’ ligand for the assembly of modified Screen Printed Electrodes: an electrochemical study.

2015

Specific Pd-based organometallic complex, in particular the [Pd(η1-CH2–CH=CH2)(P–N–P’)]BF4 was used for the assembly of chemically modified Screen Printed Electrodes (SPEs) and their electrochemical reactivity was also investigated. For this purpose potassium ferricyanide, hexaammineruthenium(III) chloride, sodium hexachloroiridate-(III) hydrate, ascorbic acid (AA), uric acid (UA), acetaminophen (Ac), guanine (G) and adenine (A) were used to study the electron-transfer processes, which occurred at modified SPEs, fabricated by using the [Pd(η1-CH2–CH=CH2)(P–N–P’)]BF4, applying the drop casting procedure. Interesting results were obtained in the case of the guanine (G) quantitative detection,…

Paul Ricoeur's Surprising Take on Recognition

2011

This essay examines Paul Ricœur’s views on recognition in his book The Course of Recognition. It highlights those aspects that are in some sense surprising, in relation to his previous publications and the general debates on Hegelian Anerkennung and the politics of recognition. After an overview of Ricœur’s book, the paper examines the meaning of “recognition” in Ricœur’s own proposal, in the dictionaries Ricœur uses, and in the contemporary debates. Then it takes a closer look at the ideas of recognition as identification and as “taking as true.” Then it turns to recognition (attestation) of oneself, in light of the distinction between human constants (and the question “What am I?”), and h…

Hexafluoro complex of rutherfordium in mixed HF/HNO3 solutions

2008

Formation of anionic fluoride-complexes of element 104, rutherfordium, produced in the 248 Cm( 18 O, 5n) 261 Rf reaction was studied by anion-exchange on an atom-at-a-time scale. It was found that the hexafluoro complex of Rf, [RfF 6 ] 2- , was formed in the studied fluoride ion concentrations of 0.0005-0.013 M. Formation of [RfF 6 ] 2- was significantly different from that of the homologues Zr and Hf, [ZrF 6 ] 2- and [HfF 6 ] 2- ; the evaluated formation constant of [RfF 6 ] 2- is at least one-order of magnitude smaller than those of [ZrF 6 ] 2- and [HfF 6 ] 2- .

Constraints on the spatial variation of Planck constant

2021

AbstractInspired by recently published researches, we present two protocols for setting an upper limit to the claimed variation of$$\hbar $$ħupon the position. The protocols, both within today state of art, involve the use of two delayed laser pulses driving an atom. The distinct positions of the laboratory, due to the Earth motion, affects$$\hbar $$ħand hence the atomic dynamics. The first protocol measures the difference in population of the atomic ground state while the second one the red-shift of the harmonics emitted by the atom in the two moments of the experiment. The protocols improve the reported upper limit of$$\varDelta \hbar /\hbar $$Δħ/ħ. The theory shows that$$\hbar (\varvec{r…

High-pressure lattice dynamics in wurtzite and rocksalt indium nitride investigated by means of Raman spectroscopy

2013

We present an experimental and theoretical lattice-dynamical study of InN at high hydrostatic pressures. We perform Raman scattering measurements on five InN epilayers, with different residual strain and free electron concentrations. The experimental results are analyzed in terms of ab initio lattice-dynamical calculations on both wurtzite InN (w-InN) and rocksalt InN (rs-InN) as a function of pressure. Experimental and theoretical pressure coefficients of the optical modes in w-InN are compared, and the role of residual strain on the measured pressure coefficients is analyzed. In the case of the LO band, we analyze and discuss its pressure behavior considering the double-resonance mechanis…

Protonation Constants of Halloysite Clay Nanotubes

2015

Halloysite is one of the most interesting nano-structured clay materials. It is similar to kaolin but has a hollow tubular structure that can be attributable to particular crystallization conditions. Typically, halloysite nanotubes (HNTs) are formed by 15 – 20 aluminosilicate layers, has a length of 1 ± 0.5 μm and inner and outer diameters of 1 - 30 and 30 - 50 nm, respectively [1,2]. In each layer the SiOH and the AlOH groups are disposed on the external and the internal surfaces, respectively. The particular structure of HNTs makes this kind of material very useful for different purposes in several fields. Among the various applications, worth of mention are: i) their use as additive for …