TY - JOUR
T1 - Template synthesis and theoretical investigation of [CuII 2CuI3K6(μ6-Cl)(μ 3-OtBu)12]
T2 - The first mixed-valence copper alkoxide
AU - Ahlrichs, Reinhart
AU - Anson, Christopher E.
AU - Fenske, Dieter
AU - Hampe, Oliver
AU - Rothenberger, Alexander
AU - Sierka, Marek
PY - 2003/9/5
Y1 - 2003/9/5
N2 - A prismatic prison for chloride: Partial disproportionation of CuCl during the reaction with KOtBu leads to the formation of a mixed-valence Cu I/CuII alkoxido complex. The trigonal prismatic K 6(μ6-Cl) template in the middle of the complex is capped by two [CuII(OtBu)3]- and three [Cu I(OtBu)3]- units (see picture, Cl green, Cu light blue, K yellow, O red).
AB - A prismatic prison for chloride: Partial disproportionation of CuCl during the reaction with KOtBu leads to the formation of a mixed-valence Cu I/CuII alkoxido complex. The trigonal prismatic K 6(μ6-Cl) template in the middle of the complex is capped by two [CuII(OtBu)3]- and three [Cu I(OtBu)3]- units (see picture, Cl green, Cu light blue, K yellow, O red).
KW - Copper
KW - Density functional calculations
KW - Mixed-valence compounds
KW - Template synthesis
KW - X-ray diffraction
UR - http://www.scopus.com/inward/record.url?scp=0141762382&partnerID=8YFLogxK
U2 - 10.1002/anie.200351395
DO - 10.1002/anie.200351395
M3 - Article
C2 - 12973762
AN - SCOPUS:0141762382
SN - 1433-7851
VL - 42
SP - 4036
EP - 4039
JO - Angewandte Chemie International Edition in English
JF - Angewandte Chemie International Edition in English
IS - 34
ER -