会议论文详细信息
3rd International Meeting for Researchers in Materials and Plasma Technology; 1st Symposium on Nanoscience and Nanotechnology | |
Geometric, electronic and intrinsic chemical reactivity properties of mono- and bi-substituted quinoline derivatives for the ground state in gas phase | |
物理学;材料科学 | |
Neira Bueno, O.L.^1 ; Hincapié, L.H.^1 ; García Madrid, C.^1 | |
Universidad Popular Del Cesar, Valledupar, Colombia^1 | |
关键词: Functional theory; Gasphase; Phenyl group; Quinoline derivative; Reactivity properties; | |
Others : https://iopscience.iop.org/article/10.1088/1742-6596/687/1/012108/pdf DOI : 10.1088/1742-6596/687/1/012108 |
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学科分类:材料科学(综合) | |
来源: IOP | |
【 摘 要 】
The study of geometric, electronic properties and intrinsic chemical reactivity is presented for the case of Quinoline and three-derived molecules (4-Amino-Quinoline, 3- Phenyl-Quinoline, 4-Amino-3-phenylquinoline). The study was carried for the ground state in gas phase in the context of the functional theory density using B3LYP/6 31+G (d) model. The purpose of the study is aimed for identifying a compound derived from quinoline, on based to mono- or bi-substitution, using the amino fragment and the phenyl group.
【 预 览 】
Files | Size | Format | View |
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Geometric, electronic and intrinsic chemical reactivity properties of mono- and bi-substituted quinoline derivatives for the ground state in gas phase | 884KB | download |