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Journal of Applied Sciences
  Year: 2007 | Volume: 7 | Issue: 1 | Page No.: 145-147
DOI: 10.3923/jas.2007.145.147
 
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Some Quantum Chemical Study about the Second-Order Non-linearity of Two Imino Chromophores Containing Salen Group

Iran Sheikhshoaie, Samira Saeid-Nia, Niaz Monadi and Hojatollah Khabazzadeh

Abstract:
Two new trident imine compounds 4-nitrophenylazo- N-(2-hydroxy propylamine) saliciliden [L1] and phenylazo- N-(2-hydroxy propylamine) saliciliden [L2] have been synthesized and characterized by some spectroscopy techniques. The electrical dipole moment (μ) and the first hyperpolarizabilty (β) and amount of charge density on all coordination atoms, HOMO energy and LUMO energy of L1 and L2 compounds were calculated by using AM1 Smi-empirical method. The calculation results reveal this π-conjugated systems have a good NLO property in second harmonic generation technique (SHG). The calculated β (NLO property) for L1 compound is 134.55 times of that Urea.
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How to cite this article:

Iran Sheikhshoaie, Samira Saeid-Nia, Niaz Monadi and Hojatollah Khabazzadeh, 2007. Some Quantum Chemical Study about the Second-Order Non-linearity of Two Imino Chromophores Containing Salen Group. Journal of Applied Sciences, 7: 145-147.

DOI: 10.3923/jas.2007.145.147

URL: https://scialert.net/abstract/?doi=jas.2007.145.147

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