title: Strong electronic coupling between dimolybdenum units linked by the N,N'-dimethyloxamidate anion in a molecule having a heteronaphthalene-like structure.
abstract: Very strong electronic communication, manifested in a K(C) value of ca. 10(9), has been found in a system of three compounds separated by one electron oxidation where each compound contains two metal-metal bonded Mo(2)(n+) units linked by a dimethyloxamidate anion, CH(3)N(O)C-C(O)NCH(3)(2)(-). The Mo-Mo distances increase as the oxidation state increases and the bond order decreases, while the diamagnetic, doubly oxidized species becomes essentially planar and resembles a naphthalene molecule. Calculations at the DFT level indicate that a strong transition in the near-IR region, shown by the singly oxidized and paramagnetic species, is best described as a HOMO-1 --> SOMO transition.
authors.affiliation: Department of Chemistry and Laboratory for Molecular Structure and Bonding, P.O. Box 30012, Texas A&M University, College Station, TX 77842-3012, USA.
authors.forename: F Albert
authors.initials: FA
authors.lastname: Cotton
authors.forename: Chun Y
authors.initials: CY
authors.lastname: Liu
authors.forename: Carlos A
authors.initials: CA
authors.lastname: Murillo
authors.forename: Dino
authors.initials: D
authors.lastname: Villagrán
authors.forename: Xiaoping
authors.initials: X
authors.lastname: Wang