Polyhedron

Conformational flexibility of palladium BINAP complexes explored by X-ray analyses and DFT studies

AC Véron, M Felber, O Blacque, B Spingler

文献索引：Veron, Anna C.; Felber, Michael; Blacque, Olivier; Spingler, Bernhard Polyhedron, 2013 , vol. 52, p. 102 - 105

全文：HTML全文

被引用次数: 2

摘要

Several crystal structures and a theoretical DFT structure of the important catalyst (BINAP) PdCl2 (BINAP: 2, 2′-bis (diphenylphosphino)-1, 1′-binaphthyl) have been determined. The conformational flexibilities of the BINAP backbone and of the phenyl rings do not seem to be coupled. Two novel parameter have been introduced that define the Π–Π stacking between the phenyl and biaryl rings in systems similar to the BINAP ligand, as well as the ...