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Synthesis and Structures of Two Triorganotin(IV) Polymers R3Sn{O2CC6H4[N=C(H)}{C(CH3)CH(CH3)-3-OH]- p } n (R=Me and Ph) Containing a 4-[(2 Z )-(3-Hydroxy-1-methyl-2-butenylidene)amino] benzoic Acid Framework

Basu Baul, Tushar ; Masharing, Cheerfulman ; Ruisi, Giuseppe ; Pettinari, Claudio ; Linden, Anthony

In: Journal of Inorganic and Organometallic Polymers and Materials, 2009, vol. 19, no. 3, p. 395-400

Calculation of ⁵⁹Co shielding tensor σ using LF–DFT

Senn, Florian ; Daul, Claude A.

In: Journal of Molecular Structure: THEOCHEM, 2010, p. -

⁵⁹Co NMR shielding tensor σ calculation using perturbation theory within the framework of Ligand Field–Density Functional Theory (LF–DFT) [1] is implemented for transition-metal complexes as an extension of the LF–DFT methodology. We give some first results for absolute and relative shielding tensors, which are in a good agreement with experimental results as well as with other...

Helical zinc complexes of pyrazine–pyridine hybrids

Dias, S. I. G. ; Heirtzler, Fenton ; Bark, Thomas ; Labat, Gael ; Neels, Antonia

In: Polyhedron, 2004, vol. 23, no. 6, p. 1011-1017

The zinc(II) complexes 1aZnCl₂ and 1bZnCl₂ (1a: 2-(6',2''-bipyrid-2'-yl)-3-(2- pyridyl)pyrazine; 1b: 2-(6',2'-bipyrid-2'-yl)-5,6-dinitrilo-3-(2-pyridyl)pyrazine) were prepared by treatment of the ligands with ZnCl₂. The structures of both were investigated by X-ray crystallography and 1H NMR spectroscopy. Both complexes display proton deshielding phenomena that are attributed to a...

Geometry determination of tetrasubstituted stilbenes by proton NMR spectroscopy

Fluxá, Viviana S. ; Jenny, Titus A. ; Bochet, Christian G.

In: Tetrahedron Letters, 2005, vol. 46(2), p. 3793-3795

A simple spectroscopic method was applied to determine the geometry of tetrasubstituted alkenes. The observation of the ⁵J-coupling constants in proton NMR spectra on the ¹³C satellite signals could confirm the previous misassignment of 2,3-diphenylbutene. Hence, the (E)-isomer showed a 1.5 Hz coupling constant, whereas the (Z)-isomer showed a 1.1 Hz coupling constant. Based on this new...