Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
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, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0003-0185-5724
Show others and affiliations
2015 (English)In: Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, E-ISSN 1873-3557, Vol. 136, 1010-1017 p.Article in journal (Refereed) 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.

Place, publisher, year, edition, pages
2015. Vol. 136, 1010-1017 p.
Keyword [en]
Chalcones, Synthesis, Spectral characterization, Single crystal X-ray studies, DFT studies, Linear and non-linear optical properties
National Category
Chemical Sciences
Identifiers
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: diva2:791311
Note

QC 20150227

Available from: 2015-02-27 Created: 2015-02-19 Last updated: 2017-12-04Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Authority records BETA

Murugan, N. Arul

Search in DiVA

By author/editor
Murugan, N. Arul
By organisation
Theoretical Chemistry and Biology
In the same journal
Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy
Chemical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 23 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf