Oscar E. Piro

Bio: Oscar E. Piro is an academic researcher from National University of La Plata. The author has contributed to research in topics: Crystal structure & Monoclinic crystal system. The author has an hindex of 31, co-authored 276 publications receiving 3639 citations. Previous affiliations of Oscar E. Piro include National Scientific and Technical Research Council.

Structural and spectroscopic characterization of tris (o-phenanthroline)iron(II) disaccharinate monosaccharin hexahydrate

Abstract: The crystal and molecular structure of the title compound, for short [Fe(o-phen)3](sac)2·(Hsac)·6H2O, has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n with a = 16.3190(1), b = 19.2890(1), c = 17.4490(2) A, β = 92.586(1)°, V = 5486.95(8) A3 and, Z = 4. The investigated compound constitutes the first example of a species in which uncoordinated saccharin and saccharinate anions are present in the structure. The crystallographic results reveal the subtle differences between the structure of the neutral molecule and its anion. The complex was also characterized by means of infrared, electronic, and 57Fe-Mossbauer spectroscopy. Its magnetic susceptibility was determined at room temperature and its thermal behavior investigated by means of thermogravimetric and differential thermal analytical techniques.

Synthesis, structural and spectroscopic characterization of thallium(I) acesulfamate

Abstract: SYNTHESIS, STRUCTURAL AND SPECTROSCOPIC CHARACTERIZATION OF THALLIUM(I) ACESULFAMATE The new acesulfamate salt, TlC 4 H 4 NO 4 S, was prepared by reaction of acesulfamic acid and thallium(I) carbonate in aqueous solution. Its crystal and molecular structure was determined by single crystal X-ray diffraction methods. The substance crystallizes in the monoclinic space group P2 1 /a , with unit cell parameters a = 7.5844(4) A, b = 9.7268(5) A, c = 10.8105(5) A, β = 105.174(6)°, and Z =4 molecules per unit cell, and is isostructural with the corresponding sodium, potassium, rubidium and cesium salts. The FTIR and Raman spectra of the compound are also recorded and briefly discussed.

Crystal chemistry of organic minerals – salts of organic acids: the synthetic approach

Abstract: The term ‘organic minerals’ means naturally occurring crystalline organic compounds including metal salts of formic, acetic, citric, mellitic, methanesulfonic and oxalic acids. As for the rest of t...

Methods in Enzymology.

Abstract: I read this book the same weekend that the Packers took on the Rams, and the experience of the latter event, obviously, colored my judgment. Although I abhor anything that smacks of being a handbook (like, \"How to Earn a Merit Badge in Neurosurgery\") because too many volumes in biomedical science already evince a boyscout-like approach, I must confess that parts of this volume are fast, scholarly, and significant, with certain reservations. I like parts of this well-illustrated book because Dr. Sj6strand, without so stating, develops certain subjects on technique in relation to the acquisition of judgment and sophistication. And this is important! So, given that the author (like all of us) is somewhat deficient in some areas, and biased in others, the book is still valuable if the uninitiated reader swallows it in a general fashion, realizing full well that what will be required from the reader is a modulation to fit his vision, propreception, adaptation and response, and the kind of problem he is undertaking. A major deficiency of this book is revealed by comparison of its use of physics and of chemistry to provide understanding and background for the application of high resolution electron microscopy to problems in biology. Since the volume is keyed to high resolution electron microscopy, which is a sophisticated form of structural analysis, but really morphology in a modern guise, the physical and mechanical background of The instrument and its ancillary tools are simply and well presented. The potential use of chemical or cytochemical information as it relates to biological fine structure , however, is quite deficient. I wonder when even sophisticated morphol-ogists will consider fixation a reaction and not a technique; only then will the fundamentals become self-evident and predictable and this sine qua flon will become less mystical. Staining reactions (the most inadequate chapter) ought to be something more than a technique to selectively enhance contrast of morphological elements; it ought to give the structural addresses of some of the chemical residents of cell components. Is it pertinent that auto-radiography gets singled out for more complete coverage than other significant aspects of cytochemistry by a high resolution microscopist, when it has a built-in minimal error of 1,000 A in standard practice? I don't mean to blind-side (in strict football terminology) Dr. Sj6strand's efforts for what is \"routinely used in our laboratory\"; what is done is usually well done. It's just that …

Principles Of Fluorescence Spectroscopy

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Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg