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Information Seminar Paper

Title

COMPARATIVE CHARACTERIZATION OF A NI-SALEN COMPLEX: DFT CALCULATIONS

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Abstract

 A NICKLE (II) COMPLEX USING A SALEN-TYPE LIGAND, N, N ' -ETHYLENE BIS (4-HYDROXYSALICYLIDENEIM-INE), ABBREVIATED WITH H2L, HAS BEEN SYNTHESIZED AND CHARACTERIZED BY SPECTROSCOPIC TECHNIQUES (UV–VIS AND FTIR), TGA, CHN ANALYSIS, MOLAR CONDUCTANCE, AND CONFIRMED WITH DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS USING THE ADF 2009.01 PACKAGE. ELECTRONIC SPECTRUM OF THE NI (II) COMPLEX IS DOMINATED BY CHARGE TRANSFER AND INTRALIGAND BANDS AT L<436 NM. DFT CALCULATIONS SHOWED THAT THE HOMO WITH -4.824 EV ENERGY IS METAL-DOMINATED, WITH THE H ®L+1 (85%) TRANSFER...

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    APA: Copy

    AKBARI, ALIREZA. (2015). COMPARATIVE CHARACTERIZATION OF A NI-SALEN COMPLEX: DFT CALCULATIONS. IRANIAN INORGANIC CHEMISTRY CONFERENCE. SID. https://sid.ir/paper/933757/en

    Vancouver: Copy

    AKBARI ALIREZA. COMPARATIVE CHARACTERIZATION OF A NI-SALEN COMPLEX: DFT CALCULATIONS. 2015. Available from: https://sid.ir/paper/933757/en

    IEEE: Copy

    ALIREZA AKBARI, “COMPARATIVE CHARACTERIZATION OF A NI-SALEN COMPLEX: DFT CALCULATIONS,” presented at the IRANIAN INORGANIC CHEMISTRY CONFERENCE. 2015, [Online]. Available: https://sid.ir/paper/933757/en

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