| 학회 |
한국고분자학회 |
| 학술대회 |
2014년 봄 (04/10 ~ 04/11, 대전 컨벤션센터) |
| 권호 |
39권 1호 |
| 발표분야 |
분자전자 부문위원회 |
| 제목 |
An unprecedented [5,6]-open adduct via a direct benzyne-C60 cycloaddition |
| 초록 |
Cycloaddition is one of the best-studied types of reactions in the organic chemistry of fullerenes, engendering [6,6]-closed adducts in the vast majority of cases. Notwithstanding that a formation of open fulleroid structures i undoubtedly of theoretical interest, nobody has demonstrated the conformation of [5,6]-open fulleroid iva the direct cycloaddtions. Here, we establish that cycloaddition between C60 and benzyne in situ generated from 2-amino-4,5-dibutoxybezoic acid affords a new type of elusive [5,6]-open structure that is characterized on the basis of NMR, cyclic voltammetry, UV-vis spectroscopy. Additionally, from density functional theory (DFT) calculation for possible [5,6]-open and [6,6]-closed adducts induced of benzyne-C60 reaction, as estimate, features such as the charge distributions binding characteristics, and frontier molecular orbital levels, are affected by the different binding modes in C60 cages. |
| 저자 |
유도혁1, 문미진2, 김경식2, 이규철2, 김종기2, 이정호2, 이상면2, 이정철2, 서정화3, 최원열4, 양창덕2
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| 소속 |
1UNIST, 2울산과학기술대, 3동아대, 4강릉원주대 |
| 키워드 |
Buckminsterfullerene; Benzyne; [5; 6]-Open adduct; [6; 6]-Closed adduct; Cycloaddition
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| E-Mail |
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