富勒烯的芳香性及其功能化途径(综述)

IF 1 Q4 CHEMISTRY, MULTIDISCIPLINARY
Beata Szefler, Raluca Pop
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引用次数: 1

摘要

芳香性用于描述含有离域电子的结构的耐久性和反应性。本文以HOMA和NICS标准为标准,从理论的HF和DFT水平对含6元环花和8元环花的富勒烯的芳香性进行了优化。这些纳米结构的芳香特性允许功能化,并最终增加它们在极性溶剂中的溶解度。总的结论是,本文描述的几种假设的分子纳米结构是新药物产品的重要候选,作为个性化医疗的建议。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Aromaticity of fullerenes, the way to their functionalization (Review)
Aromaticity is used to describe the durability and reactivity of structures containing delocalized  electrons.In this review article, the aromaticity of fullerenes patched with flowers of 6-and 8-membered ringsis discussed, optimized at the HF and DFT levels of theory, in terms of HOMA and NICS criteria. The aromatic character of these nanostructures allows for functionalization and finally for increasing their solubility in polar solvents. The overall conclusion is that several of the yet hypothetical molecular nanostructures herein described are serious candidates for new medicinal products, as a proposal for personalized medicine.
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来源期刊
Iranian journal of mathematical chemistry
Iranian journal of mathematical chemistry CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
2.10
自引率
7.70%
发文量
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