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Per una rilettura dei documenti sui musici alla corte di Pandolfo
No full textSulla base di una rilettura dei registri contabili di Pandolfo III Malatesta oggi conservati all’Archivio di Stato di Fano, si offrono nuove interpretazioni (dopo i fondamentali studi di A.W. Atlas) sulle rilevanti presenze di musici transalpini alla corte di Brescia nei primi anni del Quattrocento
Tris(pyrazol-1-yl)borate and tris(pyrazol-1-yl)methane: A DFT study of their different binding capability toward Ag(I) and Cu(I) cations
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Inorganica Chimica Acta
Volume 362, Issue 12, 15 September 2009, Pages 4358-4364
Tris(pyrazol-1-yl)borate and tris(pyrazol-1-yl)methane: A DFT study of their different binding capability toward Ag(I) and Cu(I) cations (Article)
Casarin, M.acd , Forrer, D.ad, Garau, F.a, Pandolfo, L.ad, Pettinari, C.b, Vittadini, A.cd
a Dipartimento di Scienze Chimiche, Università degli Studi di Padova, Via Marzolo 1, 35131 Padova, Italy
b Dipartimento di Scienze Chimiche, Camerino, Italy
c Istituto di Scienze Molecolari, CNR, Padova, Italy
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Abstract
Density functional theory has been used to study the electronic structure of [M(tp)] and [M(tpm)]+ conformers (M = Cu, Ag; tp = tris(pyrazol-1-yl)borate anion, tpm = tris(pyrazol-1-yl)methane) and the energetics of their interconversions. Results for the free tp ligand are similar to those of tpm [M. Casarin, D. Forrer, F. Garau, L. Pandolfo, C. Pettinari, A. Vittadini, J. Phys. Chem. A 112 (2008) 6723], indicating an intrinsic instability of the tripodal conformation (κ3-like). This points out that, though frequently observed, the κ3-coordinative mode is unlikely to be directly achieved through the interaction of M(I) with the κ3-like tp/tpm conformer. Analogously to the [M(tpm)]+ molecular ions, the energy barrier for the κ2-[M(tp)] → κ3-[M(tp)] conversion is computed to be negligible. Though κn-[M(tp)] and κn-[M(tpm)]+ (n = 1, 2, 3) have similar metal-ligand covalent interactions, the negative charge associated to the tp ligand makes the M-tp bonding stronger
Pandulphi Collenucii Pisaurensis Quatuor
No full textCollenuccio, Pandolfo Apologi quattuor ... III. Alithia [EST: Alithia]. VD16 C 4564Collenuccio, Pandolfo Apologi quattuor ... IIII. Bombarda [EST: Bombarda]. VD16 C 4566Collenuccio, Pandolfo Apologi quattuor ... II. Misopenes [EST: Misopenes]. VD16 C 4569Vorlageform des Erscheinungsvermerks: Argentorati in ædibus Matthiæ Schurerij An. M. D. XI.Bibliografischer Nachweis: VD16C 456
Pandulphi Collenucii Pisaurensis Quatuor
No full textCollenuccio, Pandolfo Apologi quattuor ... III. Alithia [EST: Alithia]. VD16 C 4564Collenuccio, Pandolfo Apologi quattuor ... IIII. Bombarda [EST: Bombarda]. VD16 C 4566Collenuccio, Pandolfo Apologi quattuor ... II. Misopenes [EST: Misopenes]. VD16 C 4569Vorlageform des Erscheinungsvermerks: Argentorati in ædibus Matthiæ Schurerij An. M. D. XI.Bibliografischer Nachweis: VD16C 456
Pio II e Sigismondo Pandolfo Malatesta
No full textSi esamina il contrastato rapporto fra il papa Pio II e Sigismondo Pandolfo Malatesta, accusato di eresia, nel contesto degli interessi nepotistici del pontefice e del quadro ipolitico internazionale del tempo
UV-Photoelectron Spectra of [M(η3-C3H5)2] (M = Ni, Pd, Pt) Revisited: A Quasi-Relativistic Density Functional Study
No full textThe molecular and electronic structure of [M(η3-C3H5)2] (M = Ni, Pd, Pt) has been investigated by means of quasi-relativistic gradient-corrected density functional calculations. Geometries have been fully optimized by considering both trans and cis arrangements of the bis(η3-allyl) moiety. Binding energy differences between isomers are always smaller than 0.2 kcal/mol; in particular, cis-[Ni(η3-C3H5)2] is computed to be more stable than trans-[Ni(η3-C3H5)2], while a reversed order is obtained for Pd and Pt analogues. Computed geometrical parameters of trans-[Ni(η3-C3H5)2] compare very well with available structural data. Moreover, a new assignment of variable energy photoelectron spectroscopy measurements [Li, X.; Bancroft, G. M.; Puddephatt, R. J.; Liu, Z. F.; Hu, Y. F.; Tan, K. H. J. Am. Chem. Soc. 1994, 116, 9543−9554] is proposed by assuming that the trans:cis ratio in the gas phase is close to one
Tris(pyrazol-1-yl)borate and Tris(pyrazol-1-yl)methane: A DFT Study of Their Different Binding Capability Toward Ag(I) and Cu(I) Cations
No full textDensity functional theory has been used to study the electronic structure of [M(tp)] and [M(tpm)]+ conformers (M = Cu, Ag; tp = tris(pyrazol-1-yl)borate anion, tpm = tris(pyrazol-1-yl)methane) and the energetics of their interconversions. Results for the free tp ligand are similar to those of tpm [M. Casarin, D. Forrer, F. Garau, L. Pandolfo, C. Pettinari, A. Vittadini, J. Phys. Chem. A 112 (2008) 6723], indicating an intrinsic instability of the tripodal conformation (k3-like). This points out that, though frequently observed, the k3-coordinative mode is unlikely to be directly achieved through the interaction of M(I) with the k3-like tp/tpm conformer. Analogously to the [M(tpm)]+ molecular ions, the energy barrier for the k2-[M(tp)] → k3-[M(tp)] conversion is computed to be negligible. Though kn-[M(tp)] and kn-[M(tpm)]+ (n = 1, 2, 3) have similar metal–ligand covalent interactions, the negative charge associated to the tp ligand makes the M-tp bonding stronger
ARKIVO: An ontology for describing archival resources
No full textIn this paper we present ARKIVO, an ontology designed to accommodate the archival description of historical document collections. The aim of ARKIVO is to provide a reference schema for a rich representation of data elements in digital historical archives. This paper briefly reports design and implementation of ARKIVO, as well as its application on a real world case study, namely the Jozef Pilsudski Institute of America digitized collections. © Copyright 2018 for the individual papers by the papers' authors
THE ORGANOMETALLIC CHEMISTRY OF CARBON SUBOXIDE
No full textCarbon suboxide, C3O2, reacts with a great variety of organometallic compounds, yielding, with organosilicon and organoaluminum, sililation and carboalumination products, respectively. Insertion reactions of C=C are performed with compounds having M-H, M-OR, M-NR2, M-PR2 bonds, giving mono-meta derivatives (ketenyl) or di-metal derivatives. Ketenyl, ketenylidene and carbonyl complexes are also obtained
Further Insights into the Structure of [M(η2(C,C‘)-C3O2)(PPh3)2] (M = Ni, Pd, Pt) by Quasi-Relativistic Density Functional Calculations and Solid-State CP/MAS NMR
No full textThe molecular and electronic structures of [M(η2(C,C‘)-C3O2)(PPh3)2] (M = Ni, Pd, Pt) have been investigated by means of quasi-relativistic gradient-corrected density functional calculations and solid-state CP/MAS NMR spectroscopy. Theoretical outcomes are consistent with a square-planar coordination around the central metal atom and are in very good agreement with the bonding scheme emerging from IR and NMR data
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