Tuning the constrained photophysics of a pyrazoline dye 3-naphthyl-1-phenyl-5-(4-carboxyphenyl)-2-pyrazoline inside the cyclodextrin nanocavities: A detailed insight via experimental and theoretical approach

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• 作者：Beena Varghese ; Saleh N Al-Busafi ; FakhrEldin O. Suliman ; ^{fsuliman@squ.edu.om} ; Salma M.Z. Al-Kindy ; ^{alkindy@squ.edu.om}
• 关键词：Pyrazoline dye ; Complexation ; Cyclodextrins ; Fluorescence ; ESIMS ; NMR ; Molecular modeling
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：173
• 期：Complete
• 页码：383-389
• 全文大小：841 K
• 卷排序：173

文摘

A newly introduced pyrazoline based dye (NPCP) forms stable inclusion complexes with cyclodextrins. The deep penetration of pyrazoline ring into the cyclodextrins cavity designs the outcome of NPCP: CD complexes. The contributions of β- and γ –CDs towards the photophysics of NPCP explains the role of perfect cavity fitting. MD calculations confirm the experimental results portraying proximity of pyrazolinic protons with H3 proton of CD.