Abstract
A theoretical thermodynamical study was carried out on the formation of Langmuir-Blodgett films of phenyl diacetylene carboxylic acid derivatives containing a lateral chain. Two cases were computed: one for the isolated molecule and another one for the same structure immersed in water with an acid pH. The result of this process shows that the formation of the film under the latter conditions is favoured by the moiety of the carboxylic group. An analysis of the frontier orbitals and the dipole moment in both situations is also presented.
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