@conference{
author = "Lazić, Anita M. and Božić, Bojan Đ. and Vitnik, Vesna D. and Vitnik, Željko J. and Valentić, Nataša V. and Ušćumlić, Gordana S.",
year = "2015",
abstract = "U radu je sintetizovana serija 3-(4-supstituisanih benzil)-1,3-diazaspiro4.4nonan-2,4-diona čija je struktura određena temperaturama topljenja, FT-IR, 1H i 13C NMR i UV/Vis spektroskopijom. Uticaj supstituenata na apsorpcione spektre spirohidantoina, u različitim rastvaračima, proučavan je Hametovom jednačinom. Eksperimentalni rezultati su pokazali zadovoljavajuću saglasnost sa rezultatima kvantnohemijskih proračuna dobijenih primenom DFT metode. Pokazano je da supstituenti značajno utiču na intramolekulski transfer naelektrisanja (ICT) kao i na reaktivnost proučavanih hidantoina razmatranu na osnovu molekulskog elektrostatičkog potencijala (MEP)., In this work, a series of 3(4-substituted benzyl)-1,3-diazaspiro4.4nonane-2,4-dione was
synthesized and fully characterized by melting points, FT-IR, 1H, and 13C NMR and UV/Vis
spectroscopy. The Hammett equation was used to quantitatively evaluate the effects of
substituents on the absorption frequencies in different solvents. The experimental results
showed very good agreement with quantum chemical calculations obtained using DFT
method. It was shown that substituents change the extent of conjugation, and affect
intramolecular charge transfer (ICT) character. To estimate chemical reactivity of the
molecules, the molecular electrostatic potential (MEP) surface maps were calculated for the
optimized geometries of the investigated molecules.",
publisher = "Beograd : Srpsko hemijsko društvo = Serbian Chemical Society",
journal = "Program i kratki izvodi radova = Program & Book of abstracts / 52. savetovanje Srpskog hemijskog društva, Novi Sad, 29 i 30. maj 2015 = 52nd Meeting of the Serbian Chemical Society, Novi Sad, Serbia, May 29 and 30, 2015",
title = "Eksperimentalna i kvantnohemijska proučavanja strukture 3-(4-supstituisanih benzil)-1,3-diazaspiro(4.4)nonan-2,4-diona), Experimental and quantum chemical studies on the structure of 3-(4-substituted benzyl)-1,3-diazaspiro(4.4)nonane-2,4-dione",
pages = "131",
url = "https://hdl.handle.net/21.15107/rcub_technorep_7467"
}