Novel organic material with potential NLO application - electronic and spectroscopic properties |
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| Authors: | BB Koleva T Kolev R Nikolova Y Zagraniarsky M Spiteller |
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| Institution: | 1.Lehrstuhl für Analytische Chemie,Ruhr-Universit?t Bochum,Bochum,Germany;2.Institut für Umweltforschung,Universit?t Dortmund,Dortmund,Germany;3.Department of Organic Chemistry,Sofia University St. Kl. Ohridski,Sofia,Bulgaria |
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| Abstract: | Novel dicyanoisophorone derivative, (E)-2-(3-(4-aminostyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile, is synthesized and its structure elucidated by means
of conventional and linear polarized IR-spectroscopy of oriented colloids in nematic host, 1H, 13C, 1H, 1H-COSY NMR, HPLC tandem ESI MS-MS spectrometry, UV-VIS and thermal methods. Ab initio and DFT level of theory are used to theoretically obtain the electronic structure and optical properties, both in ground
and exited state, of the compound.
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| Keywords: | (E)-2-(3-(4-aminostyryl)-5 5-dimethylcyclohex-2-enylidene)malononitrile Synthesis Spectroscopic properties and structural elucidation potential NLO material |
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