NMR and DFT study of Hydrogen Bonding in Mono(salicylidene)carbohydrazide (CROSBI ID 597446)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Jednačak, Tomislav ; Novak, Predrag ; Parlov Vuković, Jelena ; Zangger, Klaus ; Hrenar, Tomica
engleski
NMR and DFT study of Hydrogen Bonding in Mono(salicylidene)carbohydrazide
Schiff bases derived from di- and tri- amines posses a number of interesting biological properties and a wide range of industrial and analytical applications. They can be easily prepared by a condensation of appropriate primary amine and carbonyl compounds. The structure and hydrogen bonding of mono(salicylidene)carbohydrazide in solution has been studied by applying NMR and quantum chemical (DFT) methods. This compound can exist in several tautomeric forms and has several reactive centers which can participate in both intra- and intermolecular hydrogen bonds. It has been demonstrated that different solvents and temperature affect the nature and structure of hydrogen bonds, which is in accordance with previously published results for the related systems. Furthermore, the analysis of NMR spectra and DFT calculations allowed the identification of the dominant tautomeric form present in solution. The obtained results can be further exploited for better understanding the influence of hydrogen bonds on the bioactivity of related derivatives.
NMR spectroscopy; DFT calculations; Schiff bases; hydrogen bonding; tautomeric equilibria
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Podaci o prilogu
23-23.
2013.
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objavljeno
Podaci o matičnoj publikaciji
Abstract Book
Konrat, Robert ; Kontaxis, Georg
Beč: Universität Wien
Podaci o skupu
Magnetic Moments in Central Europe
predavanje
27.02.2013-03.03.2013
Semmering, Austrija