Publication
Title
Vibrational spectral analysis, electronic absorption and non-linear optical behavior of (E)-1-(2,4,6-trimethoxyphenyl)pent-1-en-3-one
Author
Abstract
Vibrational spectral investigations of (E)-1-(2,4,6-trimethoxyphenyl)pent-1-en-3-one (TMPPO) have been carried out using the techniques of FT-IR and FT-Raman spectra with the aid of density functional theory (DFT) calculations. Normal coordinate analysis (NCA) has been performed to obtain the vibrational modes. NBO analysis has been carried out and it reveals the presence of hydrogen bonding. The calculated first hyperpolarizability and the HOMO-LUMO energies confirm the nonlinear optical activity of TMPPO. UV-vis spectral analysis has been carried out. (C) 2015 Elsevier B.V. All rights reserved.
Language
English
Source (journal)
Vibrational spectroscopy. - Amsterdam
Publication
Amsterdam : 2015
ISSN
0924-2031
Volume/pages
79(2015), p. 1-10
ISI
000358817800001
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.09.2015
Last edited 12.09.2017
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