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Distinction between homochiral and heterochiral dimers of 1-aza[n]helicenes (n = 1-7) with alkaline cations

AuthorsAlkorta, Ibon ; Blanco, F.; Elguero, José ; Schröder, D.
Issue Date2010
PublisherPergamon Press
CitationTetrahedron Asymmetry 21: 962- 968 (2010)
AbstractA theoretical study of the chiral distinction between the homochiral and heterochiral dimers of the 1-aza[n]helicenes, with n = 1-7, glued with lithium, sodium, and potassium cations has been carried out by means of DFT calculations up to M05-2x/6-311+G(d) computational level. The electronic characteristic of the isolated helicenes has been explored. The chiral distinction is dependent on the size of the helicene and the cation used with the largest values obtained for the 1-aza[6]helicene bound to lithium cation. © 2010 Elsevier Ltd. All rights reserved.
Publisher version (URL)http://dx.doi.org/10.1016/j.tetasy.2010.05.032
Identifiersdoi: 10.1016/j.tetasy.2010.05.032
issn: 0957-4166
e-issn: 1362-511X
Appears in Collections:(IQM) Artículos
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