title: Halide and hydroxide linearly bridged bimetallic copper(II) complexes: trends in strong antiferromagnetic superexchange interactions.
abstract: Centrosymmetric [Cu(2)(μ-X)(μ-L(m)*)(2)](ClO(4))(3) (X = F(-), Cl(-), Br(-), OH(-), L(m)* = m-bis[bis(3,5-dimethyl-1-pyrazolyl)methyl]benzene)], the first example of a series of bimetallic copper(II) complexes linked by a linearly bridging mononuclear anion, have been prepared and structurally characterized. Very strong antiferromagnetic exchange coupling between the copper(II) ions increases along the series F(-) < Cl(-) < OH(-) < Br(-), where -J = 340, 720, 808, and 945 cm(-1). DFT calculations explain this trend  by an increase in the energy along this series of the antibonding antisymmetric combination of the p orbital of the bridging anion interacting with the copper(II) d(z(2)) orbital.
authors: Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States. reger@mailbox.sc.edu
authors: Daniel L
authors: DL
authors: Reger
authors: Andrea E
authors: AE
authors: Pascui
authors: Mark D
authors: MD
authors: Smith
authors: Julia
authors: J
authors: Jezierska
authors: Andrew
authors: A
authors: Ozarowski