Unusual hydrothermal synthesis of a heteroaromatic macrocyclic complex

Treatment of 1, MoO 3 and Cu(OAc) 2 · H 2O in water under hydrothermal conditions gave planar macrocyclic [ 2Cu] 2+ and [bpy 2Cu] 2+, imbedded within a matrix of [{Cu 2(benzotriazolate)} 2Mo 8O 26] in modest yield. The [ 2Cu] 2+ dication was structurally characterized and its electronic structure ca...

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Bibliographic Details
Published in:Polyhedron 2008-12, Vol.27 (18), p.3700-3702
Main Authors: Burkholder, Eric, Heirtzler, Fenton, Orian, Laura, Ouellette, Wayne, Zubieta, Jon
Format: Article
Language:English
Subjects:
Copper
Hydrothermal
Macrocycle
Molybdenum
Structure
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Summary:Treatment of 1, MoO 3 and Cu(OAc) 2 · H 2O in water under hydrothermal conditions gave planar macrocyclic [ 2Cu] 2+ and [bpy 2Cu] 2+, imbedded within a matrix of [{Cu 2(benzotriazolate)} 2Mo 8O 26] in modest yield. The [ 2Cu] 2+ dication was structurally characterized and its electronic structure calculated using scalar relativistic ZORA DFT methods on ADF2005.01. Hydrothermal treatment of 2,3-bis(2′,6″-bipyridyl)quinoxaline, molybdenum trioxide, cupric acetate and water unexpectedly forms the Cu(II) complex of a planar, macrocyclic 2-acyl-6,2′-bipyridyl dimer, imbedded within a copper benzotrizolate-octamolybtate matrix. X-ray crystallographic characterization of this material, and scalar relativistic ZORA DFT modeling of the complex dication are presented.
ISSN:0277-5387
DOI:10.1016/j.poly.2008.09.007