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Two- and three-dimensional mid-infrared chemical imaging

Zobi,Fabio ; Obst, Martin

In: CHIMIA International Journal for Chemistry, 2017, vol. 71, no. 1, p. 32–37

This article describes the state-of-the-art in 2D and 3D tomographic mid-IR imaging and its current and potential applications in the imaging of material and biological systems with a focus on cells and tissues. 2D FTIR microscopy is first presented in terms of the basic experimental configurations of the technique, optics, data and image acquisition. This first section provides a basis for...

CO and CO-releasing molecules in medicinal chemistry

Zobi, Fabio

In: Future Medicinal Chemistry, 2013, vol. 5, no. 2, p. 175-188

Since the discovery that CO acts as a cytoprotective and homeostatic molecule, increasing research efforts have been devoted to the exploitation of its therapeutic effects. Both endogenous and exogenous CO improves experimental lung, vascular and cardiac injuries and protects against several inflammatory states. The technology is now in place to bring CO to clinical applications, but the use...

Formation and Reactivity of [(tacn)-N-CO-Re(III)Br(CO)(2)](+) in Water : a Theoretical and Experimental Study

Zobi, Fabio ; Blacque, Olivier ; Steyl, Gideon ; Spingler, Bernhard ; Alberto, Roger

In: Inorganic Chemistry, 2009, vol. 48, no. 11, p. 4963-4970

The chemistry of [(tacn)-N-CO-Re(III)(CO)(2)Br]X (X = Cl or Br), obtained in good yield from the reaction of fac-[(tacn)Re(I)(CO)(3)]Br (1, tacn = 1,4,7- triazacyclononane) with X(2) in water, is described. The [(tacn)-N-CO-Re(III)(CO) (2)Br]X complex (2 with X = Br(-); 2a with X = BrCl(2)(-)), which we have previously communicated, is characterized by an unusual three-membered ring acyl amide...

Ligand electronic parameters as a measure of the polarization of the C≡O bond in [M(CO)(x)L(y)]n complexes and of the relative stabilization of [M(CO)(x)L(y)](n/n+1) species

Zobi, Fabio

In: Inorganic Chemistry, 2010, vol. 49, no. 22, p. 10370-10377

The electronic description of octahedral (fac-[M(CO)(3)L(3)](n), with M = Re, Ru, and Mn, and [Cr(CO)(5)L](n)), square-planar (cis-[Pt(CO)(2)L(2)](n)), and tetrahedral ([Ni(CO)(3)L](n)) carbonyl complexes (where L = monodentate ligand) was obtained via density functional theory and natural population analyses in order to understand what effects are probed in these species by vibrational...

Parametrization of the contribution of mono- and bidentate ligands on the symmetric C[triple bond]O stretching frequency of fac-[Re(CO)(3)](+) complexes

Zobi, Fabio

In: Inorganic Chemistry, 2009, vol. 48, no. 22, p. 10845-10855

A ligand parameter, IR(P)(L), is introduced in order to evaluate the effect that different monodentate and bidentate ligands have on the symmetric C[triple bond]O stretching frequency of octahedral d(6) fac-[Re(CO)(3)L(3)] complexes (L = mono- or bidentate ligand). The parameter is empirically derived by assuming that the electronic effect, or contribution, that any given ligand L will add to...

Synthesis and reactivity of the 17 e- complex [Re(II)Br4(CO)2]2 : A convenient entry into rhenium(II) chemistry

Zobi, Fabio ; Kromer, Lukas ; Spingler, Bernhard ; Alberto, Roger

In: Inorganic Chemistry, 2009, vol. 48, no. 18, p. 8965-8970

The reduction of (Et(4)N)[Re(III)Br(4)(CO)(2)] (1) by 0.5 equiv of tetrakis- dimethylaminoethylene in acetonitrile yields directly the air-stable, 17-electron Re(II) synthon (Et(4)N)(2)[Re(II)Br(4)(CO)(2)] (2) in nearly quantitative yield. The versatility of 2 as a synthon for Re(II) chemistry was demonstrated by substitution reactions of [Re(II)Br(4)(CO)(2)](2-) with different mono-, bi-,...

Rückstellungen in der Rechnungslegung : eine betriebswirtschaftliche Untersuchung der Rückstellungen in Bilanztheorie, Recht und Rechnungslegungspraxis

Zöbeli, Daniel ; Boemle, Max (Dir.) ; Pasquier-Dorthe, Jacques (Codir.)

Thèse de doctorat : Université de Fribourg : 2003.

The DEAR experiment—first results on kaonic hydrogen

Zmeskal, J. ; Beer, G. ; Bragadireanu, A. M. ; Cargnelli, M. ; Curceanu (Petrascu), C. ; Egger, J.-P. ; Fuhrmann, H. ; Guaraldo, C. ; Iliescu, M. ; Ishiwatari, T. ; Itahashi, K. ; Iwasaki, M. ; Kienle, P. ; Lauss, B. ; Lucherini, V. ; Ludhova, Livia ; Marton, J. ; Mulhauser, Françoise ; Ponta, T. ; Schaller, Lukas A. ; Seki, R. ; Sirghi, D.L. ; Sirghi, F.

In: Nuclear Physics A, 2005, vol. 754, p. 369-374

The goal of the DEAR (DAΦNE exotic atom research) experiment is the precise determination of the isospin dependent antikaon–nucleon scattering lengths. The experiment accurately measures the Kα line shift and broadening, due to the strong interaction, in kaonic hydrogen and, for the first time, in kaonic deuterium. A precision measurement of kaonic hydrogen tests chiral symmetry...

A new method to describe the multimode Jahn-Teller effect using density functional theory

Zlatar, Matija ; Schläpfer, Carl-Wilhelm ; Daul, Claude A.

In: Springer Series in Chemical Physics, 2010, vol. 97, p. 131-165

A new method for the analysis of the adiabatic potential energy surfaces of Jahn–Teller (JT) activemolecules is presented. It is based on the analogy between the JT distortion and reaction coordinates. Within the harmonic approximation the JT distortion can be analysed as the linear combination of all totally symmetric normal modes in the low symmetry minimum energy conformation. Contribution...

Intrinsic distortion path in the analysis of the Jahn–Teller effect

Zlatar, Matija ; Gruden-Pavlović, Maja ; Schläpfer, Carl-Wilhelm ; Daul, Claude A

In: Journal of Molecular Structure: THEOCHEM, 2010, vol. 954, p. 86-93

The multideterminental-DFT approach was performed in order to calculate the Jahn–Teller (JT) parameters for the JT active molecules. Within the harmonic approximation the JT distortion can be analysed as a linear combination of all totally symmetric normal modes in any of the low symmetry minimum energy conformation, which allows to calculate the Intrinsic Distortion Path (IDP), exactly from...