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Photophysics and kinetics of naphthopyran derivatives, part 3: A general procedure to uniquely identify the kinetic and spectroscopic parameters of ABC(2 k ,2ϕ) systems and application to naphthopyran reactions
Author(s) -
Maafi M.,
Brown R. G.
Publication year - 2006
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.20192
Subject(s) - chemistry , kinetic energy , kinetics , reactivity (psychology) , thermodynamics , identifiability , computational chemistry , stereochemistry , medicine , physics , alternative medicine , pathology , quantum mechanics , machine learning , computer science
A new procedure has been developed with the aim of determining the kinetic and spectroscopic parameters of any photochemical systems of the generic ABC(2 k ,1ϕ) and ABC(2 k ,2ϕ) types. General expressions of the colorability and the equilibrium concentration ratio of two (of the three involved) species at a photostationary state or a state of thermal equilibrium have been derived. The procedure has been successfully applied to achieve unique identifiability for the seven sequences of the ABC(2 k ,1ϕ and 2ϕ) type that may represent naphthopyran dynamics. It is demonstrated that the reactivity of this particular compound is certainly described by a higher kinetic level than those (three or four reaction steps) considered in the present study. © 2006 Wiley Periodicals, Inc. Int J Chem Kinet 38: 421–430, 2006