A general theory of empirical state determination in quantum physics: Part I

This paper develops a method for extracting from data the quantum theoretical state representation belonging to any reproducible empirical scheme for preparing a physical system, provided only that at least one observable has its possible values limited to a finite set. In Part I, we formulate a general systematic procedure, based on the concept of irreducible tensor operators, for the selection of sets of observables sufficiently large to permit the unambiguous determination of an unknown quantum state.This investigation was supported in part under a grant from Research Corporation and by Graduate School research funds.     

Comments on “The density matrix of scattered particles”

This note, in rejoinder to a paper by Newton critical of our analysis of certain limitations of quantum scattering theory, seeks to acknowledge and to clarify the disparate interests of the two conflicting articles.     

Chemisorption bonding and bond lengths on transition metal surfaces: Effect of coordination and valency saturation

A smooth correlation between the determined chemisorption bond lengths, for O, S, Se and Te on Ni (001) and for sulphur on Ni (110) and Ni (111) as well, and Pauling's resonating bond ionicity is demonstrated, when the latter are calculated with due regard for the coordination and valency saturation effects. Pauling's bond length-bond number relation is used to provide (i) an independent estimate of the Ni-O bond length on Ni (001), which is found capable of discriminating among the reported values, and (ii) estimates of the bond lengths for O, S, Se and Te on Ni (111) and Ni (110) by using the determined bond lengths on Ni (001). Agreement with the determined values for sulphur is surprisingly good.     

Density and ultrasonic absorption studies of the interaction between polyions and hydrophobic counterions

The volume changes associated with the interaction between tetra-n-propylammonium, propylammonium and butylammonium ions with the polyethylenesulphonate ion (PES) have been determined from density measurements. The excess ultrasonic absorption of solutions of PES and polystyrenesulphonic (PSS) acids has been measured as a function of the neutralization degree by tetramethylammonium (TMA) and tetra-n-butylammonium (TBA) hydroxides. The results confirm that a negligible volume change is associated with the interaction between tetramethylammonium ions and polyions. They indicate that the interaction of large tetraalkylammonium (TAA) ions with polyions gives rise to a small contraction. This effect may be due to [1] disruption of the organisation of the water molecules about the TAA ion alkyl chain when the chains come close enough to polyion charged sites, under the effect of the electrical charges; [2] to enhanced TAA-TAA interactions in the neighbourhood of polyions, owing to the so-called condensation phenomenon; and [3] to hydrophobic interactions between TAA ions and polyions, in the case of hydrophobic polyions such as PSS.     

In-situ fabrication of three-dimensionally confined GaAs and InAs volumes via growth on non-planar patterned GaAs(001) substrates

Three-dimensionally confined GaAs/AlGaAs and InAs/GaAs structures on 100 oriented square mesas patterned onto GaAs(001) substrates are realized, in-situ, via size-reducing molecular beam epitaxy. Two stages of mesa top pinch-off involving {103} and subsequently {101} side facets are revealed. GaAs and InAs quantum boxes with lateral linear dimensions down to 40 nm and confined by AlGaAs and GaAs, respectively, are reported. For InAs, the strain relief in mesas is found to enhance the well known 2 ML thickness for three-dimensional island formation on unpatterned substrates to, remarkably, >5 ML for mesa size 75 nm. Cathodoluminescence emission from the InAs on the mesa top attests to its good optical quality.     

Three-way multivariate analysis of metal fractionation results from sediment samples obtained by different sequential extraction procedures and ICP-OES

Three typical schemes for metal fractionation were applied to analyse coastal surface sediment samples from Bahía Blanca estuary, where an important industrial emplacement is located. Also, three certified reference materials for total metal concentrations were analysed. The studied metals were cadmium, chromium, copper, lead and zinc because of their hazardous potential and related abundance in the estuary. The concentration of metals was determined by inductively coupled plasma-optical emission spectrometry (ICP-OES). A three-way multivariate analysis was performed in order to obtain a better visualization of the experimental data. The extracted information was used to evaluate the equivalence among the results obtained by the three sequential extraction schemes. The data were analysed by parallel factor analysis (PARAFAC). PARAFAC models with two factors describe appropriately the data sets (explained variance about 54% and core consistency of 100%). The multivariate decomposition showed that the three applied schemes are able to describe equally well the behaviour of the metals in the different sediment fractions.     

A new supramolecular cocrystal of 2-amino-3-bromopyridine with 4-methylbenzoic acid: Synthesis,structural, spectroscopic characterization and comparative theoretical studies

The 1:1 cocrystal of 2-amino-3-bromopyridine (2A3BP) with 4-methylbenzoic acid (4MBA) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic P2₁/c space group having two molecules in the asymmetric unit. The cocrystal has been characterized by single crystal X-ray analysis, FTIR, ¹H NMR, ¹³C NMR, and Powder XRD. Theoretical investigations have been calculated by HF and density function (B3LYP) method with the 6-311+G(d,p) basis set. The vibrational frequencies together with the ¹H NMR and ¹³C NMR chemical shifts have been calculated on the fully optimized geometry of 1. Theoretical calculations of bond parameters, harmonic vibration frequencies, and isotropic chemical shifts are in good agreement with the experimental results. Solvent-free formation of these cocrystal was confirmed by powder X-ray diffraction analysis. The crystal structure was stabilized by N_pyridine—H···O = C, C = O—H···N_pyridine and C—H···Br hydrogen bonding interactions.     

Eco-friendly and facile synthesis of 2-substituted-1H-imidazo[4,5-b]pyridine in aqueous medium by air oxidation

We report a new environmentally-benign, convenient, and facile methodology for the synthesis of 2-substituted-1H-imidazo[4,5-b]pyridine. The reaction of 2,3-diaminopyridine with substituted aryl aldehydes in water under thermal conditions without the use of any oxidative reagent has been studied. The reaction has yielded 1H-imidazo[4,5-b]pyridine derivatives by an air oxidative cyclocondensation reaction in one step in an excellent yield. Furthermore, a series of compounds were synthesized and characterized by melting point, EI-MS, NMR, and IR tools. For comparison, the reference samples were prepared by the reported method. Utilization of aqueous medium, easy reaction conditions, isolation, and purification make this manipulation very interesting from an economic and environmental perspective.     

Synthesis and study of the fluorescent behavior of 3-pyridinecarbonitriles

Abstract  A series of (2E)-3-(1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl)-1-(4-aryl)prop-2-en-1-ones (chalcones) have been synthesized by a new synthetic route. The 3-pyridinecarbonitrile derivatives were synthesized by the Michael reaction of malononitrile (in base) and aroylacetonitriles (in acid) with chalcones in one pot. The fluorescent properties and quantum yields of these compounds were studied. Graphical Abstract