Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming

The spectroscopic methods and molecular modeling were employed to study the photophysical properties of t-azobenzene in solution and in the channel of zeolite LTL. The effects of the interactions between the dye molecules and zeolite framework on the electronic states were examined experimentally by...

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Main Authors: Wilaiporn Insuwan, Kunwadee Rangsriwatananon, Jittima Meeprasert, Supawadee Namuangruk, Yaowarat Surakhot, Nawee Kungwan, Siriporn Jungsuttiwong
Format: Journal
Published: 2018
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http://cmuir.cmu.ac.th/jspui/handle/6653943832/53366
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Institution: Chiang Mai University
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spelling th-cmuir.6653943832-533662018-09-04T10:02:08Z Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming Wilaiporn Insuwan Kunwadee Rangsriwatananon Jittima Meeprasert Supawadee Namuangruk Yaowarat Surakhot Nawee Kungwan Siriporn Jungsuttiwong Chemistry Engineering Materials Science Physics and Astronomy The spectroscopic methods and molecular modeling were employed to study the photophysical properties of t-azobenzene in solution and in the channel of zeolite LTL. The effects of the interactions between the dye molecules and zeolite framework on the electronic states were examined experimentally by diffuse reflectance UV-visible absorption and fluorescence emission. The changes observed in the spectra were dependent on the forms of zeolite LTL (H-LTL and K-LTL). In addition the structural properties of the dye in the different environments were also intensively investigated by density functional theory (DFT) calculations with B3LYP/6-31G(d,p) level of theory. The 324T cluster model and the ONIOM (B3LYP/6-31G(d,p):UFF) methods were employed for the calculating the orientations of the dye in the zeolite system. The experimental data are consistent with the calculation results. The dye in solution can be relaxed into the planar structure, however, when the dye is in LTL zeolite it is constrained by the framework and is therefore twisted due to the confinement effects of zeolite. Moreover, emission spectra were detected only from protonated t-azobenzene incorporated into H-LTL while no emission was detected from t-azobenzene confined in K-LTL framework. The results of the study lead to the conclusion that the zeolite framework affects both the structural and photophysical properties of t-azobenzene. © 2014 Elsevier Inc. All rights reserved. 2018-09-04T09:48:18Z 2018-09-04T09:48:18Z 2014-01-01 Journal 13871811 2-s2.0-84905051318 10.1016/j.micromeso.2014.07.004 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84905051318&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/53366
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
topic Chemistry
Engineering
Materials Science
Physics and Astronomy
spellingShingle Chemistry
Engineering
Materials Science
Physics and Astronomy
Wilaiporn Insuwan
Kunwadee Rangsriwatananon
Jittima Meeprasert
Supawadee Namuangruk
Yaowarat Surakhot
Nawee Kungwan
Siriporn Jungsuttiwong
Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming
description The spectroscopic methods and molecular modeling were employed to study the photophysical properties of t-azobenzene in solution and in the channel of zeolite LTL. The effects of the interactions between the dye molecules and zeolite framework on the electronic states were examined experimentally by diffuse reflectance UV-visible absorption and fluorescence emission. The changes observed in the spectra were dependent on the forms of zeolite LTL (H-LTL and K-LTL). In addition the structural properties of the dye in the different environments were also intensively investigated by density functional theory (DFT) calculations with B3LYP/6-31G(d,p) level of theory. The 324T cluster model and the ONIOM (B3LYP/6-31G(d,p):UFF) methods were employed for the calculating the orientations of the dye in the zeolite system. The experimental data are consistent with the calculation results. The dye in solution can be relaxed into the planar structure, however, when the dye is in LTL zeolite it is constrained by the framework and is therefore twisted due to the confinement effects of zeolite. Moreover, emission spectra were detected only from protonated t-azobenzene incorporated into H-LTL while no emission was detected from t-azobenzene confined in K-LTL framework. The results of the study lead to the conclusion that the zeolite framework affects both the structural and photophysical properties of t-azobenzene. © 2014 Elsevier Inc. All rights reserved.
format Journal
author Wilaiporn Insuwan
Kunwadee Rangsriwatananon
Jittima Meeprasert
Supawadee Namuangruk
Yaowarat Surakhot
Nawee Kungwan
Siriporn Jungsuttiwong
author_facet Wilaiporn Insuwan
Kunwadee Rangsriwatananon
Jittima Meeprasert
Supawadee Namuangruk
Yaowarat Surakhot
Nawee Kungwan
Siriporn Jungsuttiwong
author_sort Wilaiporn Insuwan
title Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming
title_short Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming
title_full Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming
title_fullStr Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming
title_full_unstemmed Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming
title_sort combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in ltl zeolite: effect of cis-isomer forming
publishDate 2018
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84905051318&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/53366
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