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Nawee Kungwan. Molecular design of enhanced fluorescent molecules using excited state intramolecular proton transfers of tetraphenylimidazole-based dyes. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2019.
Molecular design of enhanced fluorescent molecules using excited state intramolecular proton transfers of tetraphenylimidazole-based dyes
Name: Wachara Benchaphanthawee
Organization :
Chiang Mai University. Faculty of Science
Name: Nawee Kungwan
Organization :
Chiang Mai University. Faculty of Science
Email :
naweekung@gmail.com
keyword:
Tetraphenylimidazole-based
LCSH:
Excited state chemistry
Abstract:
Aiming for enhancing fluorescence, we have molecularly designed a series of tetraphenylimidazole based (HPI) dyes harnessing the excited state intramolecular proton transfer (ESIPT) reaction with a triphenylamine (TPA) covalently linked to the phenyl ring at the meta and para positions (HPI m TPA and HPI p TPA, respectively). For theoretical study, we investigated electronic properties and ESIPT process of HPI, HPI m TPA and HPI p TPA using density functional theory (DFT) and time dependent DFT (TD DFT). Vibrational calculations demonstrate that the intramolecular hydrogen bond of all compounds is strengthened in the excited state. Simulated UV/Vis emission spectra reveal that the maximum wavelength of HPI p TPA is more red shifted compared to that of HPI but the maximum wavelength of HPI gives more red shift than that of HPI m TPA. Moreover, their electronic transitions from ground state to excited state are the combination between intramolecular charge transfer and pie to pie transitions. Furthermore, the potential energy curves along the PT coordinates reveal exothermic ESIPT process for HPI and HPI p TPA, but endothermic for HPI m TPA
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2019
Modified:
2019-10-10
Issued:
2019-10-10
บทความ/Article
application/pdf
BibliograpyCitation :
In Chemical Society of Thailand under the Patronage of Professor Dr. HRH Princess Chulabhorn. Pure and Applied Chemistry International Conference 2019 (PACCON 2019) (H1-6). Bangkok : Mahidol University
eng
©copyrights King Mongkut's University of Technology North Bangkok
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0.022599 วินาที
Wachara Benchaphanthawee
| Title | Contributor | Type |
|---|---|---|
| Molecular design of enhanced fluorescent molecules using excited state intramolecular proton transfers of tetraphenylimidazole-based dyes
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Wachara Benchaphanthawee;Nawee Kungwan | บทความ/Article |
Nawee Kungwan