title: Correlation of Solid State and Solution Coordination Numbers with Infrared Spectroscopy in Five-, Six-, and Eight-Coordinate Transition Metal Complexes of DOTAM.
abstract: Three new DOTAM (1,4,7,10-tetrakis(acetamido)-1,4,7,10-tetraazacyclododecane) complexes have been synthesized and characterized by X-ray crystallography: [Co(DOTAM)]Cl2•3H2O, [Ni(DOTAM)]Cl2•4H2O, and [Cu(DOTAM)](ClO4)2•H2O. Solid state and solution IR spectroscopic features for a series of [M(DOTAM)]2+complexes (M=Mn, Co, Cu, Ni, Ca, Zn) correlate with solid state and solution coordination numbers. [Co(DOTAM)]2+, [Ni(DOTAM)]2+, and [Zn(DOTAM)]2+are demonstrated to be six-coordinate in both the solid state and in solution, while [Mn(DOTAM)]2+and [Ca(DOTAM)]2+are eight-coordinate in the solid state and remain so in solution. [Cu(DOTAM)]2+, which is five-coordinate by X-ray crystallography, is shown to increase its coordination number in solution to six-coordinate.
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: Maika K C T
authors.initials: MK
authors.lastname: Nagata
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: Paul S
authors.initials: PS
authors.lastname: Brauchle
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: Sen
authors.initials: S
authors.lastname: Wang
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: Sarah K
authors.initials: SK
authors.lastname: Briggs
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: Young Soo
authors.initials: YS
authors.lastname: Hong
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: Daniel W
authors.initials: DW
authors.lastname: Laorenza
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: Andrea G
authors.initials: AG
authors.lastname: Lee
authors.affiliation: Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, Middletown, CT 06459.
authors.forename: T David
authors.initials: TD
authors.lastname: Westmoreland
keywords: DOTAM; X-ray structure; coordination complex; infrared spectroscopy