Simulation of luminescent of excited-state intramolecular proton-transfer dyes based on functionalized bipyridine derivatives
Publish place: International Conference on New Research Findings in Science, Engineering and Technology with a Focus on Need-Based Research
Publish Year: 1394
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
ICMRS01_102
تاریخ نمایه سازی: 8 آبان 1395
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.
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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
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