Header menu link for other important links
X
Synthesis, characterization of (3E)-1-(6-chloro-2-methyl-4-phenyl quinolin-3-Yl)-3-aryl prop-2-en-1-ones through IR, NMR, single crystal X-ray diffraction and insights into their electronic structure using DFT calculations
, Srikanth A, Arul Murugan N, Jasinski J.P, Beauchesne H.C, Jarvis E.E.,
Published in Elsevier BV
2015
PMID: 25459627
Volume: 136
   
Issue: PB
Pages: 1010 - 1017
Abstract
3E-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-arylprop-2-en-1-ones were synthesized and characterized by FTIR, 1H NMR, 13C NMR, HSQC, DEPT-135. In addition the compound 3E-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one was subjected to the single crystal X-ray diffraction studies. Density functional theory calculations were carried out for this chalcone and its derivatives to investigate into their electronic structure, chemical reactivity, linear and non-linear optical properties. The structure predicted from DFT for chalcone is in good agreement with the structure from XRD measurement. © 2014 Elsevier B.V. All rights reserved.
About the journal
JournalData powered by TypesetSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
PublisherData powered by TypesetElsevier BV
ISSN1386-1425
Open AccessNo