title: Squeezing the [Cu-OH...H2O-Cu]3+ bridge by cryptate encapsulation.
abstract: Treatment of cryptand L(1) with Cu(II) generates a H3O2(-)-bridged dicopper(II) cryptate, 2, where the guest anion has responded to steric constraint by a significant shortening of the O-O distance to 2.325(9) A; computational optimization at the B3LYP/6-31(d) level suggests that the bridging O-H...O H-bond is bent (approximately 157 degrees) but that the barrier to interchange of the bridging H atom is low (<4 kJ mol(-1)). This cryptate, rather than the [Cu2L(1)muCN]3+ species recently claimed to derive from cleavage of the C-C bond of the solvent, is the product of acetonitrile recrystallization of the initially formed reaction product, 1.
authors.affiliation: University of Southern Denmark, Department of Chemistry, Campusvej 55, 5230 Odense M, Denmark.
authors.forename: Andrew D
authors.initials: AD
authors.lastname: Bond
authors.forename: Sofia
authors.initials: S
authors.lastname: Derossi
authors.forename: Frank
authors.initials: F
authors.lastname: Jensen
authors.forename: Frank B
authors.initials: FB
authors.lastname: Larsen
authors.forename: Christine J
authors.initials: CJ
authors.lastname: McKenzie
authors.forename: Jane
authors.initials: J
authors.lastname: Nelson