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Structure–property relationships in a series of photochromic thiophene‐substituted 3 H ‐naphtho [2,1‐ b ]pyrans
Author(s) -
Rebiere N.,
Moustrou C.,
Meyer M.,
Samat A.,
Guglielmetti R.,
Micheau J.C.,
Aubard J.
Publication year - 2000
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/1099-1395(200009)13:9<523::aid-poc289>3.0.co;2-k
Subject(s) - photochromism , thiophene , chemistry , flash photolysis , series (stratigraphy) , computational chemistry , photochemistry , organic chemistry , quantum mechanics , kinetics , reaction rate constant , physics , paleontology , biology
The photochromic parameters of a set of 26 thiophene‐substituted [3 H ]‐naphtho[2,1‐ b ]pyrans were studied by flash photolysis. The experimental results obtained along with molecular modelling approaches (molecular mechanics and quantum calculations) allowed us to propose structure–property relationships. From this approach, the main structural modifications able to induce large variations in electronic absorption, fading rates and coloration ability are discussed. Copyright © 2000 John Wiley & Sons, Ltd.