The synthesis, molecular, crystal, and electronic structures of [ReBr2(O)(OCH3)(PPh3)(2)]

作者：Michalik S^*; Malecki J G; Kruszynski R; Kozik V; Kusz J; Krompiec M

来源：Journal of Coordination Chemistry, 2011, 64(12): 2202-2213.

DOI：10.1080/00958972.2011.591930

• Rhenium
• X-ray structure
• Electronic structure
• DFT calculations

[ReBr2(O)(OCH3)(PPh3)(2)] has been obtained in the reaction of [ReBr3O(PPh3)(2)] or [ReBr2(eta(2)-N2COPh-N',O)(PPh3)(2)] with an excess of methanol. [ReBr2O(OMe)(PPh3)(2)] crystallizes in the triclinic space group P-1. The complex was characterized by infrared, UV-Vis, and H-1 NMR spectra. The electronic structure of the obtained compound has been calculated using the DFT/TD-DFT method.

• 出版日期2011