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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

Jednačak, Tomislav ; Novak, Predrag ; Parlov Vuković, Jelena ; Zangger, Klaus ; Hrenar, Tomica NMR and DFT study of Hydrogen Bonding in Mono(salicylidene)carbohydrazide // Abstract Book / Konrat, Robert ; Kontaxis, Georg (ur.). Beč: Universität Wien, 2013. str. 23-23

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

Povezanost rada

Kemija