Scheer, Manfred and Gregoriades, Laurence John and Bai, Junfeng and Sierka, Marek and Brunklaus, Gunther and Eckert, Hellmut (2005) One-Dimensional Polymers Based on [2(,2-P2)]: Solid-State Conformation Analysis by NMR Spectroscopy and DFT Calculations. Chemistry - A European Journal 11 (7), pp. 2163-2169.
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Reaction of the complex [2(,2-P2)] (1) with CuI halides leads to the quantitative formation of the novel one-dimensional linear polymers [CuX] (X=Cl (4), Br (5), I (6)). The same products 4 and 5 were obtained when 1 was treated with CuCl2 and CuBr2, respectively. The solid-state structures are compared and their remarkable influence on the respective 31P magic angle spinning (MAS) NMR spectra is interpreted with the help of density functional theory (DFT) calculations on the model compounds  (X=Cl (4 a), Br (5 a)) in which the molybdenum atoms are replaced by their lighter homologue chromium.
|Date:||15 February 2005|
|Institutions:||Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Manfred Scheer|
|Keywords:||density functional calculations; molybdenum; NMR spectroscopy; phosphorus; polymers; solid-state structures|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Created at the University of Regensburg:||Unknown|
|Deposited On:||14 Jun 2010 12:06|
|Last Modified:||20 Jul 2011 22:29|