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Photophysics and kinetics of naphthopyran derivatives, part 2: Analysis of diarylnaphthopyran kinetics. Degeneracy of the kinetic solution
Author(s) -
Maafi M.,
Brown R. G.
Publication year - 2005
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.20130
Subject(s) - kinetics , chemistry , degeneracy (biology) , kinetic energy , identifiability , degenerate energy levels , photochromism , thermodynamics , uniqueness , computational chemistry , photochemistry , statistics , physics , mathematics , bioinformatics , mathematical analysis , quantum mechanics , biology
The photocoloring and fading kinetics of the photochromic 3,3‐diphenyl‐3 H ‐naphtho[2,1‐ b ]pyran (NPY) have been analyzed using a kinetic treatment for three related species recently developed by us ( Int J Chem Kinet 2005, 37(3), 162). The concepts of identifiability and distinguishability are developed with respect to the elucidation of the NPY kinetics. We find that neither set of kinetic data on its own, nor the two data sets combined, allow the true mechanism to be distinguished. In addition, even for a chosen mechanism, there exist degenerate sets of parameters i.e. the solutions are also unidentifiable. A discussion of the limits and uniqueness of the results' interpretation is presented. © 2005 Wiley Periodicals, Inc. Int J Chem Kinet 37: 717–727, 2005