title: A computational approach to the spectrophotometric determination of stability constants-II Application to metalloporphyrin-axial ligand interactions in non-aqueous solvents.
abstract: The ability of the computer program SQUAD to deduce a plausible equilibrium model, associated stability constants and spectra of individual species is described. The original version of SQUAD has been extensively modified and these changes are detailed. In particular a "user-friendly" method of data input has been implemented that simplifies familiarization with the program. Brevity of program code has been sacrificed in favour of the new data input and error-checking features of SQUAD, with beneficial results. The application of SQUAD to five non-aqueous metalloporphyrin-axial ligand interactions exemplifies the program's ability to handle widely different types of equilibrium systems.
authors.affiliation: Department of Chemistry, University of Houston, Houston, TX 77004, U.S.A.
authors.forename: D J
authors.initials: DJ
authors.lastname: Leggett
authors.forename: S L
authors.initials: SL
authors.lastname: Kelly
authors.forename: L R
authors.initials: LR
authors.lastname: Shiue
authors.forename: Y T
authors.initials: YT
authors.lastname: Wu
authors.forename: D
authors.initials: D
authors.lastname: Chang
authors.forename: K M
authors.initials: KM
authors.lastname: Kadish