Computer-aided design of a sulfate-encapsulating receptor.
Custom built: A promising new approach towards more efficient self-assembled cage receptors through computer-aided design is demonstrated. The resulting M(4)L(6) tetrahedral cage, internally functionalized with accurately positioned urea hydrogen-bonding groups (see structure; yellow: predicted, blue: experimental, space-filling: SO(4)(2-)), proved to be a remarkably strong sulfate receptor in water.
Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. custelceanr@ornl.gov
Radu
R
Custelcean
Jerome
J
Bosano
Peter V
PV
Bonnesen
Vilmos
V
Kertesz
Benjamin P
BP
Hay
D002214:Capsules / Q000138:chemical synthesis*; D017076:Computer-Aided Design; D006860:Hydrogen Bonding; D009532:Nickel / Q000737:chemistry*
D002214:Capsules; C029938:nickel sulfate; D009532:Nickel