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Title

Simulation of luminescent of excited-state intramolecular proton-transfer dyes based on functionalized bipyridine derivatives

Year: 1394
Publish place:
COI: ICMRS01_102
Language: EnglishView: 313
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Authors

Mohsen Oftadeh - Associate Professor, PHD, Physical Chemistry, Department of Chemistry, Payame Noor University of Technology, Tehran
Zahra Barfarakh - PhD student, Physical Chemistry, Department of Chemistry, Payame Noor University of Technology, Tehran

Abstract:

Four new [2,2ʹ-bipyridyl]-3,3ʹ-diol (BP(OH)2) derivative by –CN substituents is recommended as useful modifications of the parent structure. The excited state intramolecular- proton transfer process (ESIPT) has been characterized for BP(OH)2s with the use of computational methods. It has been determined that two tautomeric form of BP(OH)2 exists: in the ground and singlet excited states dienol (DE) and in the lowest excited triplet state diketo (DK). Their photophysical characteristics of new compound was studied. The S1-S0 and T1-S0 transition energies of BP(OH)2s from its DE and DK forms computed. In addition, the occurrence of ESIPT of BP(OH)2s is supported by the calculated T1-S0 transition energies. –CN substituent effect in BP(OH)2 on the ESIPT have investigates and demonstrates phosphorescence with a large Stokes shift.

Keywords:

Paper COI Code

This Paper COI Code is ICMRS01_102. Also You can use the following address to link to this article. This link is permanent and is used as an article registration confirmation in the Civilica reference:

https://civilica.com/doc/519511/

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Oftadeh, Mohsen and Barfarakh, Zahra,1394,Simulation of luminescent of excited-state intramolecular proton-transfer dyes based on functionalized bipyridine derivatives,کنفرانس بین المللی یافته های نوین پژوهشی در علوم،مهندسی و فناوری با محوریت پژوھشھای نیاز محور,Mashhad,https://civilica.com/doc/519511

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