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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
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi och biologi.ORCID-id: 0000-0003-0185-5724
Vise andre og tillknytning
2015 (engelsk)Inngår i: Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, E-ISSN 1873-3557, Vol. 136, s. 1010-1017Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

3E-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-arylprop-2-en-1-ones were synthesized and characterized by FTIR, H-1 NMR, C-13 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. (C) 2014 Elsevier B.V. All rights reserved.

sted, utgiver, år, opplag, sider
2015. Vol. 136, s. 1010-1017
Emneord [en]
Chalcones, Synthesis, Spectral characterization, Single crystal X-ray studies, DFT studies, Linear and non-linear optical properties
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-160364DOI: 10.1016/j.saa.2014.09.124ISI: 000347585300102Scopus ID: 2-s2.0-84911945793OAI: oai:DiVA.org:kth-160364DiVA, id: diva2:791311
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QC 20150227

Tilgjengelig fra: 2015-02-27 Laget: 2015-02-19 Sist oppdatert: 2017-12-04bibliografisk kontrollert

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Murugan, N. Arul

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