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399 results on '"Casarin M"'

52. Spontaneous self-assembly of an unsymmetric trinuclear triangular copper(II) pyrazolate complex, [Cu3(μ3-OH)(μ-pz) 3(MeCOO)2(Hpz)] (Hpz = pyrazole). Synthesis, experimental and theoretical characterization, reactivity, and catalytic activity

Author

Casarin, M, Corvaja, C, Di Nicola, C, Falcomer, D, Franco, L, Monari, M, Pandolfo, L, Pettinari, C, Piccinelli, F, and Tagliatesta, P

Subjects
electron, Settore CHIM/03 - Chimica Generale e Inorganica, hydrogen bond, catalysis, synthesis, water, electron spin resonance, article, ultraviolet spectroscopy, metal complex, acetic acid, copper acetate, copper complex, pyrazole derivative, complex formation, Fourier transformation, infrared spectroscopy, molecular interaction
Published
2004

54. Spontaneous self-assembly of an unsymmetric trinuclear triangular copper(II) pyrazolate complex, [Cu-3(mu(3)-OH)(mu-pz)(3)(MeCOO)(2)(Hpz)] (Hpz = pyrazole). synthesis, experimental and theoretical characterization, reactivity, and catalytic activity

Author

Casarin, M., Corvaja, C., di Nicola, C., Falcomer, D., Franco, L., Monari, M., Pandolfo, L., Pettinari, C., Piccinelli, Fabio, and Tagliatesta, P.

Subjects
X-RAY CRYSTAL-STRUCTURE, MAGNETIC-PROPERTIES, ASYMMETRIC CYCLOPROPANATION
Published
2004

61. Spectroscopic and Theoretical Investigations on Pd(II) and Pt(II) Dithiocarbamates

Author

Wenisch, R., Forrer, D., Gross, S., Casarin, M., Montagner, D., Vittadini, A., Helm, M., Tondello, E., Gemming, S., Wenisch, R., Forrer, D., Gross, S., Casarin, M., Montagner, D., Vittadini, A., Helm, M., Tondello, E., and Gemming, S.

Abstract

In coordination chemistry, the nature and strength of the metal-ligand interaction has attracted much interest. Metal-sulfur complexes, in particular in comparison with their oxygen-based analogues, are intriguing as the sulfur atoms are polarized more easily. The use of specifically tailored sulfur-based ligands allows for tuning the complex functional properties. Among them, electronic properties are very sensitive to changes in the sulfur coordination sphere, suggesting potential uses as molecular switches in optoelectronic devices. Metal dithiocarbamates [R2NCS2]lM have been extensively studied by IR and UV-vis. spectroscopy, ESR and to a limited extent XPS and UPS. Here, we present experimental and theoretical studies investigating the electronic properties of a series of dithiocarbamates of Pd(II) and Pt(II): the pyrrolidine-based one and the 1-pyrrolidinecarbodithioate methyl ester (PyDTM). MX2(PyDTM) (M=Pt/Pd; X=Cl/Br) were analyzed by XPS and by FT-IR spectroscopy. DFT calculations yielded details on the electronic structure and allowed for unambiguous assignment of the IR spectral features. Ionization energies were evaluated with the asymptotically correct LB94 potential and the two components ZORA.

Published
2010

65. L2,3-edges absorption spectra of a 2D complex system: a theoretical modelling.

Author

Carlotto, S., Sambi, M., Sedona, F., Vittadini, A., Bartolomé, J., Bartolomé, F., and Casarin, M.

Abstract

L2,3-edges absorption spectra of FePc (I) and FePc(η2-O2) (II) on Ag(110) have been modelled using the DFT/ROCIS method. Despite disregarding the presence of the substrate, the agreement between experiment and theory is remarkable. Moreover, theoretical results confirm the fraction of II (70%) present on the surface, thus allowing a thorough assignment of each experimental spectral feature. Ground state (GS) theoretical outcomes pertaining to I and II provide an intimate understanding of the electron transfer pathway ruling the I-based catalytic oxygen reduction reaction. DFT/ROCIS outcomes indicate that the lower excitation energy (EE) side of the I/IIL3 intensity distributions mainly includes states having the GS number of unpaired electrons (two in I and six in II), whereas states with higher/lower spin multiplicity contribute to the I/IIL3 higher EE side. The occurrence of states involving metal to ligand charge transfer transitions implying low lying empty π* ligand-based orbitals on the I/IIL3 higher EE sides have been confirmed. [ABSTRACT FROM AUTHOR]

Published
2016
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80. Digital picture processing applied to the evaluation of plant root

Author

Casarin, M., Jacquey, S., Fouéré, Alain, Girardin,, ProdInra, Migration, Station de recherches grandes cultures : Laboratoire de zoologie, and Institut National de la Recherche Agronomique (INRA)

Subjects
[SDV] Life Sciences [q-bio], [SDV]Life Sciences [q-bio]
Published
1991

82. MOCVD deposition of CoAl2O4 films

Author

Carta, G., primary, Casarin, M., additional, El Habra, N., additional, Natali, M., additional, Rossetto, G., additional, Sada, C., additional, Tondello, E., additional, and Zanella, P., additional

Published
2005
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85. A theoretical study of the L3 pre-edge XAS in Cu(ii) complexes.

Author

Mangione, G., Sambi, M., Nardi, M. V., and Casarin, M.

Abstract

L2,3 spectra of Cu(ii) complexes have been simulated by means of time dependent DFT. Besides the agreement between theory and experiment, the adopted approach provided further insights into the use of the Cu(ii) L3-edge intensity and position to investigate the Cu–ligand symmetry-restricted covalency and the ligand-field strength. [ABSTRACT FROM AUTHOR]

Published
2014
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86. Additions and corrections

Author

Casarin, M., Maccato, C., and Vittadini, A.

Subjects
Molecular dynamics -- Research, Molecules -- Analysis, Titanium dioxide -- Research, Chemicals, plastics and rubber industries
Published
1999

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