Metal free synthesis of thermally stable blue fluorescent m -terphenyls by ring transformation of 2 H -pyran-2-ones: chemical synthesis, spectroscopy and computational studies.

Autor:	Kole PB; Chemistry Division, School of Advanced Sciences (SAS), VIT Chennai Vandalur-Kelambakkam Road, Chennai-600 127 Tamil Nadu Chennai India fatehveer.singh@vit.ac.in., Sakthivel K; Chemistry Division, School of Advanced Sciences (SAS), VIT Chennai Vandalur-Kelambakkam Road, Chennai-600 127 Tamil Nadu Chennai India fatehveer.singh@vit.ac.in., Armaković SJ; University of Novi Sad, Faculty of Sciences, Department of Chemistry, Biochemistry and Environmental Protection 21000 Novi Sad Serbia.; Association for the International Development of Academic and Scientific Collaboration (AIDASCO) 21000 Novi Sad Serbia., Armaković S; University of Novi Sad, Faculty of Sciences, Department of Physics 21000 Novi Sad Serbia.; Association for the International Development of Academic and Scientific Collaboration (AIDASCO) 21000 Novi Sad Serbia., Iqbal M; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University Riyadh 11451 Saudi Arabia., Singh FV; Chemistry Division, School of Advanced Sciences (SAS), VIT Chennai Vandalur-Kelambakkam Road, Chennai-600 127 Tamil Nadu Chennai India fatehveer.singh@vit.ac.in., Kollur SP; School of Physical Sciences, Amrita Vishwa Vidyapeetham Mysuru Campus Mysuru - 570 026 Karnataka India shivachemist@gmail.com.
Jazyk:	angličtina
Zdroj:	RSC advances [RSC Adv] 2024 May 24; Vol. 14 (24), pp. 16960-16970. Date of Electronic Publication: 2024 May 24 (Print Publication: 2024).
DOI:	10.1039/d4ra02375g
Abstrakt:	A simple yet convenient nucleophile-induced synthetic route for the construction of thermally stable fluorescent active functionalized stilbenes has been delineated. The nucleophile-induced base encouraged synthetic protocol was performed under mild conditions without harming the environment and products were achieved in good yields. The synthesized stilbenes showed amazing emission properties and good thermal stability. Synthesized products displayed interesting positive solvatochromism in different solvents based on variation in polarity. Further, we present a comprehensive analysis of the eight molecules, leveraging a combination of Density Functional Tight Binding (DFTB), Density Functional Theory (DFT) calculations, and Molecular Dynamics (MD) simulations. This integrated approach allowed for an in-depth exploration of the electronic structures, reactivity profiles, and dynamic behaviors of these complex molecular systems. Our findings reveal significant insights into the physicochemical properties of the synthesized molecules, contributing to a deeper understanding of their potential applications in various fields. Competing Interests: There are no conflicts to declare. (This journal is © The Royal Society of Chemistry.)
Databáze:	MEDLINE
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