BIBLIOS

Tipo
Artigos em Revista

Tipo de Documento
Artigo Completo

Título
An atomistic insight into light-sensitive polymers with methylstilbene building blocks

Participantes na publicação
Nuno A. G. Bandeira (Author)
BioISI
Bartosz Tylkowski (Author)
Krzysztof Artur Bogdanowicz (Author)
Marta Giamberini (Author)
Carles Bo (Author)

Resumo
Controlled release of photosensitive systems is widely studied because of its numerous applications. However, just a few descriptions of the mechanism of this phenomena were reported. The aim of this study was to investigate the behaviour of a real system based on light-sensitive α-methylstilbene- based copolyester microcapsules with vanillin as an upload under UV irradiation. For this purpose we aimed to elucidate some of the structural features of the chains by means of quantum chemical calculations applying periodic boundary conditions. Additionally, the excitation energy of an approximated model was used to verify the influence of large size and different functionality of attached groups on the system. From the optimized structure of trans- and cis- isomers, it was proved that trans-to-cis isomerization can be responsible for the main chain length reduction by 20% in comparison to the initial state, thus confirming the experimental findings. Moreover, the major influence of double bond on photo-activity of the system was eventually justified by comparison of the calculated UV–vis spectra of both forms with empirically obtained data which were in good agreement.


Suporte
Polymer International

Identificadores da Publicação
ISSN - 0959-8103

Editora
Wiley



Identificadores do Documento
DOI - https://doi.org/10.1002/pi.4868
URL - http://dx.doi.org/10.1002/pi.4868

Identificadores de Qualidade
Web Of Science Q2 (2020) - 2.99 - POLYMER SCIENCE - SCIE
SCIMAGO Q1 (2020) - 0.592 - Polymers and Plastics