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Title
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Theoretical studies of pyramidality of nitrogen in (2-Cyclohexyl-vinyl)-methyl-amine, (2-Cyclopentyl-vinyl)-methyl-amine, (2-Cyclobutyl-vinyl)-methyl-amine and (2-Cyclopropyl-vinyl)-methyl-amine
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Type
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Presentation
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Keywords
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2-Cyclohexyl-vinyl)-methyl-amine
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Abstract
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The structures A-H were optimized at the DFT-B3LYP/6-31G* theory level.[1] All the calculations were carried out using the Spartan ‘10 package.[3] Pramidality of nitrogen, the energetic and geometric parameters (bond length (Å), bond angle (°) and torsional angle (°)) of the structures were undertaken using a DFT-B3LYP/6-31G* method. Theatrical study of 1HNMR and IR spectral have calculated. In Figure 1 the stability and bond angle have compared. In (2-Cyclopentyl-vinyl)-methyl-amine (C) high tendency of resonance nitrogen has seen.
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Researchers
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ma z (Third Researcher), Avat Taherpour (Second Researcher), (First Researcher)
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