Journal
JOURNAL OF RAMAN SPECTROSCOPY
Volume 40, Issue 12, Pages 1822-1830Publisher
WILEY
DOI: 10.1002/jrs.2326
Keywords
NIR FT-Raman spectroscopy; FT-IR spectroscopy; NLO; DFT; ICT
Categories
Ask authors/readers for more resources
As part of the efforts for the design of new organic nonlinear optical(NLO) materials with high efficiency for present day technological requirements, a comprehensive investigation on the intramolecular charge transfer(CT) of an efficient pi-conjugated potential push-pull NLO chromophore, ethyl-3-(3,4-dihydroxyphenyl)-2-propenoate(EDP) to a strong electron-acceptor group through the pi-conjugated bridge has been carried out from their vibrational spectra. The first hyperpolarizabilities of caffeic derivatives are investigated by ab initio method. The NLO efficiency is experimentally measured by powder efficiency experiment. The strongest vibrational modes contributing to the electro-optic effect from the simultaneous infrared(IR) and Raman activities of the ring C=C stretching modes, in-plane deformation modes, and the umbrella mode of the methyl groups have been identified and analyzed unambiguously. The influence of electronic effects, hyperconjugation and backdonation, on the C-H stretching vibrations of both methyl and methylene groups causing the decrease of stretching wavenumbers and IR intensities has been extensively investigated. Copyright (C) 2009 John Wiley & Sons, Ltd.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available