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Study of bimolecular interactions by molecular modeling and surface acoustic wave device
Author(s) -
Thompson Michael,
Frank M. Donata,
Stone David C.
Publication year - 1997
Publication title -
electroanalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.574
H-Index - 128
eISSN - 1521-4109
pISSN - 1040-0397
DOI - 10.1002/elan.1140091405
Subject(s) - silanization , silane , ethylene glycol , vicinal , analyte , adsorption , molecule , diol , selectivity , chemistry , surface acoustic wave , hydrogen bond , analytical chemistry (journal) , organic chemistry , acoustics , catalysis , physics
A film containing vicinal diol groups has been formed on the quartz surface of a surface acoustic wave sensor through a silanization reaction with 3‐glycidoxypropyltrimethoxysilane. The interactive selectivity of the silane surface for adsorption of several vapor analytes was measured using a gas chromatograph‐acoustic wave device combination. Much larger responses are obtained for compounds containing a nitrofunctional group. Computational chemistry is employed to calculate interaction energies for purported hydrogen‐bond complexes between analyte molecules and ethylene glycol, an analogue of the surface silane species. The results of these calculations are compared to the experimental sensor responses.