Scheer, Manfred and Gregoriades, Laurence John and Zabel, Manfred and Sierka, Marek and Zhang, Long and Eckert, Hellmut (2007) Conformational Analysis of One-Dimensional Coordination Polymers Based on [Cp2Cr2(CO)4(,2-P2)] by Solid-State Multinuclear NMR Spectroscopy and Density Functional Calculations. European Journal of Inorganic Chemistry 2007 (18), pp. 2775-2782.
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Reaction of the complex [Cp2Cr2(CO)4(,2-P2)] (2) with copper(I) halides leads to the quantitative formation of the new one-dimensional (1D) linear polymers [CuX]n [X = Cl (3), Br (4), I (5)]. Polymers 3-5 are the first examples of supramolecular aggregates incorporating 2 as a connecting moiety. The solid-state structures of 3-5 are compared and their remarkable influence on the respective solid-state 31P magic angle spinning (MAS) NMR spectra is interpreted with the help of density functional theory (DFT) calculations, which suggest that the 31P chemical shifts are extremely sensitive to the position of the phosphorus atoms with respect to the cones of anisotropy of the carbonyl ligands.
|Date:||8 May 2007|
|Institutions:||Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Manfred Scheer|
|Keywords:||Chromium; Copper; Halides; Density functional calculations; NMR spectroscopy; Phosphorus|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Created at the University of Regensburg:||Unknown|
|Deposited On:||07 Jun 2010 12:38|
|Last Modified:||20 Jul 2011 22:29|