A computational approach to the spectrophotometric determination of stability constants-II Application to metalloporphyrin-axial ligand interactions in non-aqueous solvents.
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.
Leggett
D J
DJ
Department of Chemistry, University of Houston, Houston, TX 77004, U.S.A.
Kelly
S L
SL
Shiue
L R
LR
Wu
Y T
YT
Chang
D
D
Kadish
K M
KM