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Université de Fribourg

Tautomerism in 1-phenylazo-4-naphthols: experimental results vs quantum-chemical predictions

Antonov, Liudmil ; Kurteva, Vanya ; Crochet, Aurelien ; Mirolo, Laurent ; Fromm, Katharina M. ; Angelova, Silvia

In: Dyes and Pigments, 2012, vol. 92, no. 1, p. 714–723

The reliability in the description of the tautomerism of 1-phenylazo-4-naphthol by using of HF and MP2 ab initio levels of theory and DFT methods with variety of pure GGA (OLYP), hybrid (B3LYP and B3PW91), long range corrected (LC-BLYP) and double-hybrid (B2PLYP and mPW2PLYP) functionals with large number of basis sets was estimated. In this evaluation three criteria were used: reproduction of...

Université de Fribourg

Coordination Networks of Mercury(II) Halides and Polyether Ligand

Crochet, Aurélien ; Fromm, Katharina M.

In: Zeitschrift für anorganische und allgemeine Chemie, 2011, vol. 637, no. 14-15, p. 2089–2092

New crystalline mercury halide adducts with polyetheras ligands were isolated, characterized, and identified as trans-[HgIICl₂(diox)₂]n (1) and trans-[HgIII₂(diox)]n (2). The compounds were obtained from the metal halide salts in solution of 1,4-dioxane and can be considered as “cutting-out”...

Université de Fribourg

Synthesis, X-ray crystal structure, thermal and solution studies of a centrosymmetric metal-organic polymer based on proton transfer methodology

Eshtiagh-Hosseini, Hossein ; Hassanpoor, Azam ; Alfi, Nafiseh ; Mirzaei, Masoud ; Fromm, Katharina M. ; Shokrollahi, Ardeshir ; Gschwind, Fabienne ; Karami, Elham

In: Journal of Coordination Chemistry, 2010, vol. 63, no. 18, p. 3175-3186

A 3-D metal-organic coordination polymer based on pyrazine-2,3-dicarboxylic acid (pzdcH₂) formulated as {[Mn(pzdc)(H₂O)₂] · 2H₂O}n (1), was obtained by the treatment of MnCl₂ · 6H₂O with pzdcH₂, 8-hydroxy quinoline (8-HQ), and 2-amino-4-methyl pyridine (ampy). In this study, we describe the synthesis, elemental analysis, IR spectroscopy, TG analysis, and...

Université de Neuchâtel

Synthesis, structure and DNA interaction of cobalt(III) bis-complexes of 1,3-bis(2-pyridylimino)isoindoline and 1,4,7-triazacyclononane

Tamil Selvi, Pitchumony ; Stoeckli-Evans, Helen ; Palaniandavar, Mallayan

In: Journal of Solid State Chemistry, 2005, vol. 99, no. 11, p. 2110-2118

The complex [CoL2](ClO4) • MeOH (1), where HL is the tridentate 3N ligand 1,3-bis(2-pyridylimino)isoindoline, has been isolated and its X-ray crystal structure successfully determined. It possesses a distorted octahedral structure in which both the ligands are coordinated meridionally to cobalt(III) via one deprotonated isoindoline (L−) and two pyridine...

Université de Neuchâtel

Synthesis, structure and magnetic properties of cobalt(II) and copper(II) coordination polymers assembled by phthalate and 4-methylimidazole

Baca, Svetlana G. ; Malinovskii, Stanislav T. ; Franz, Patrick ; Ambrus, Christina ; Stoeckli-Evans, Helen ; Gerbeleu, Nicolae ; Decurtins, Silvio

In: Journal of Solid State Chemistry, 2004, vol. 177, no. 8, p. 2841-2849

New coordination polymers [M (Pht)(4-MeIm)2 (H2O)]n (M=Co (1), Cu (2); Pht2−=dianion of o-phthalic acid; 4-MeIm=4-methylimidazole) have been synthesized and characterized by IR spectroscopy, X-ray crystallography, thermogravimetric analysis and magnetic measurements. The crystal structures of 1 and 2...

Université de Neuchâtel

Preparation of donor–acceptor substituted fluorostilbenes and crystal chemistry of fluorinated (E)-4-(4-halogeno-styryl)-benzonitriles

Mariaca, Raúl ; Labat, Gaël ; Behrnd, Norwid-Rasmus ; Bonin, Michel ; Helbling, Fabien ; Eggli, Patrick ; Couderc, Gaëtan ; Neels, Antonia ; Stoeckli-Evans, Helen ; Hulliger, Jürg

In: Journal of Fluorine Chemistry, 2009, vol. 130, no. 2, p. 175-196

The syntheses and crystal structures of a series of fluoro-substituted halogeno (Cl, Br, I)-cyano-stilbenes containing donor and acceptor groups (D-π-A) are reported. These molecules show a tendency to form antiparallel chain-like structures and herringbone packing, crystallising predominantly in a centric space group. However, second harmonic generation measurements bear evidence for...

Université de Neuchâtel

Synthesis, structure and magnetic properties of two end-on double azido bridged nickel(II) dinuclear entities incorporating N,N,N-coordinating tridentate reduced Schiff base ligands

Sarkar, Sumana ; Mondal, Amrita ; El Fallah, Mohamed Salah ; Ribas, Joan ; Chopra, Deepak ; Stoeckli-Evans, Helen ; Krishna Rajak, Kajal

In: Polyhedron, 2006, vol. 25, no. 1, p. 25-30

Complexes of the general formula [Ni2L2 (μ1,1-N3)2(N3)2] have been synthesised in good yields by reacting Ni(NO3)2 • 6H2O with L in the presence of excess of sodium azide in methanol at room temperature. Here L is N,N-bis(2-pyridylmethyl)amine (L1) and...