کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1230842 1495248 2014 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Existence of a resonance hybrid structure as a result of proton tautomerism in (±)-(E)-4-Bromo-2-[(2,3-dihydroxypropylimino) methyl]phenol racemate
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Existence of a resonance hybrid structure as a result of proton tautomerism in (±)-(E)-4-Bromo-2-[(2,3-dihydroxypropylimino) methyl]phenol racemate
چکیده انگلیسی


• Proton tautomerism is experimentally and theoretically investigated.
• Resonance hybrid structure of the title compound has been investigated.
• The supramolecular structure of title compound is investigated.

o-Hydroxy Schiff bases have two tautomers known as phenol-imine and keto-amine forms. In the present work, the tautomerism in (E)-4-Bromo-2-[(2,3-dihydroxypropylimino)methyl]phenol compound has been investigated by experimental (XRD, FT-IR and UV–vis) and computational (DFT and TD-DFT) methods. The X-ray diffraction (XRD) study reveals that the title compound favors a resonance hybrid structure of phenol-imine and keto-amine forms in the solid state rather than having these forms separately or jointly. Experimental UV–vis study of proton transfer process in solvent media (Benzene, DMSO and EtOH) shows the preference of phenol-imine form in benzene while both phenol-imine and keto-amine characteristics are present in EtOH and DMSO.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 120, 24 February 2014, Pages 201–207
نویسندگان
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