Molecular structure, spectroscopic investigations, second-order nonlinear optical properties and intramolecular proton transfer of (E)-5-(diethylamino)-2-[(4-propylphenylimino)methyl]phenol: a combined experimental and theoretical study.

@article{Koar2012MolecularSS,
  title={Molecular structure, spectroscopic investigations, second-order nonlinear optical properties and intramolecular proton transfer of (E)-5-(diethylamino)-2-[(4-propylphenylimino)methyl]phenol: a combined experimental and theoretical study.},
  author={Başak Koşar and Çiğdem Albayrak and Cem C{\"u}neyt Ersanlı and Mustafa Odabaşoğlu and Orhan B{\"u}y{\"u}kg{\"u}ng{\"o}r},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  year={2012},
  volume={93},
  pages={1-9}
}
This work presents a combined experimental and theoretical study on an ortho-hydroxy Schiff base compound, (E)-5-(diethylamino)-2-[(4-propylphenylimino)methyl]phenol. The crystal structure and spectroscopic properties of the compound have been determined by using X-ray diffraction, IR and UV-vis spectroscopy techniques. The electronic structure, vibrational frequencies and electronic absorption spectra have been investigated from the calculative point of view. A relaxed potential energy surface… CONTINUE READING