Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C-60. Molecular structures of C60F18(CF3)(6) and C60F16(CF3)(6)

Troyanov SI; Goryunkov AA; Tamm NB; Markov VY; Ioffe IN; Sidorov LN

首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C-60. Molecular structures of C60F18(CF3)(6) and C60F16(CF3)(6)

【24h】

Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C-60. Molecular structures of C60F18(CF3)(6) and C60F16(CF3)(6)

机译：C-60混合氟-三氟甲基衍生物的合成，结构和理论研究。 C60F18（CF3）（6）和C60F16（CF3）（6）的分子结构

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

A series of novel mixed C60Fn(CF3)m compounds has been produced by trifluoromethylation of C60F18 with CF3I in ampoules at 380-420 degrees C. Two of these compounds, C60F18(CF3)(6) and C60F16(CF3)(6), have been characterized by X-ray crystallography, which has revealed addition of six CF3 groups to the C-3v-C60F18 for the former and replacement/elimination of two outermost F atoms in the latter. Quantum chemical calculations have been employed to predict the most stable possible isomers of C60F16/18(CF3)(6) in order to rationalize the experimental results.

机译：通过在380-420℃的安瓿瓶中用CF3I对C60F18进行三氟甲基化反应，制得了一系列新型的C60Fn（CF3）m混合化合物。其中两种化合物C60F18（CF3）（6）和C60F16（CF3）（6）， X射线晶体学表征了X射线晶体学，X射线晶体学显示C-3v-C60F18中增加了六个CF3基团，后者中两个最外层的F原子被置换/消除。量子化学计算已被用来预测C60F16 / 18（CF3）（6）的最稳定可能的异构体，以便使实验结果合理化。

著录项

来源
《Dalton transactions: An international journal of inorganic chemistry》 |2008年第19期|共6页
作者
Troyanov SI; Goryunkov AA; Tamm NB; Markov VY; Ioffe IN; Sidorov LN;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类无机化学;
关键词
CRYSTAL-STRUCTURE; C60F18; FULLERENE; CYCLOADDITION; ISOMERS;

机译：晶体结构;C60F18;富勒烯;循环载荷;异构体;

相似文献

外文文献
中文文献
专利

1. Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C-60. Molecular structures of C60F18(CF3)(6) and C60F16(CF3)(6) [J] . Troyanov SI, Goryunkov AA, Tamm NB, Dalton transactions: An international journal of inorganic chemistry . 2008,第19期

机译：C-60混合氟-三氟甲基衍生物的合成，结构和理论研究。 C60F18（CF3）（6）和C60F16（CF3）（6）的分子结构
2. Novel antioxidant quinoxaline derivative: Synthesis, crystal structure, theoretical studies, antidiabetic activity and molecular docking study [J] . Missioui Mohcine, Mortada Salma, Guerrab Walid, Journal of Molecular Structure . 2021,第1期

机译：新型抗氧化喹喔啉衍生物：合成，晶体结构，理论研究，抗糖急活性和分子对接研究
3. Synthesis, crystal structure and DNA interaction of a new water-soluble derivative of pyrazino[2,3-f][1,10] phenanthroline; theoretical calculations, experimental and molecular docking studies [J] . Aminzadeh Mohammad, Eslami Abbas, Kia Reza, Journal of Molecular Structure . 2018,第期

机译：吡唑啉的新水溶性衍生物的合成，晶体结构和DNA相互作用[2,3-F] [1,10]菲咯啉; 理论计算，实验和分子对接研究
4. A Computational Study on Structures, Stabilities and Electronic Properties of Trifluoromethyl Silsesquioxanes Si2nO3n(CF3)2n (n=1-5) [C] . Shu-Yuan Yu, Cheng-Gen Zhang, Yalan Wang Frontier of nanoscience and technology II . 2012

机译：三氟甲基倍半硅氧烷Si2nO3n（CF3）2n（n = 1-5）的结构，稳定性和电子性质的计算研究
5. I. Structure-based molecular modeling and synthesis of indole derivatives as non-phenolic analogues of mycophenolic acid. II. 3D-QSAR studies using CoMFA on homotropane and tropane derivatives as dopamine transporter and serotonin transporter ligands. [D] . El-Araby, Moustafa El-Sayed. 2001

机译：I.基于结构的分子模型和吲哚衍生物作为霉酚酸的非酚类似物的合成。二。 3D-QSAR研究使用CoMFA对高碘烷和托烷衍生物作为多巴胺转运蛋白和5-羟色胺转运蛋白配体的研究。
6. Isolation and structure determination of missing fullerenes Gd@C74(CF3)n through in situ trifluoromethylation [O] . Ayano Nakagawa, Shinobu Aoyagi, Haruka Omachi, 2018

机译：原位三氟甲基化分离富勒烯Gd @ C74（CF3）n的方法及结构测定
7. Trifluoromethyl Derivatives of Insoluble Small-HOMO-LUMO-Gap Hollow Higher Fullerenes. NMR and DFT Structure Elucidation of C2-(C74-D3h)(CF3)12, Cs-(C76-Td(2))(CF3)12, C2-(C78-D3h(5))(CF3)12, Cs-(C80-C2v(5))(CF3)12, and C2-(C82-C2(5))(CF3)12 [O] . -1

机译：不溶性小型型腔间隙中空富勒烯的三氟甲基衍生物。 NMR和DFT结构阐明C2-（C74-D3H）（CF3）12，Cs-（C76-Td（2））（CF 3）12，C 2-（C78-D3H（5））（CF 3）12，CS- （C80-C2V（5））（CF3）12和C2-（C82-C2（5））（CF3）12
8. Solid State Solution Behavior of Triorganotin (IV) Derivatives Containing the2,4,6-Tris-(Triflu oromethyl)Benzene 1,4-Bis(Perfluoroisopropoxy) Tetrafluorobenzene Ligands: Crystal Molecular Structures of 2,4,6-(CF3)3C6H2Sn(C6H5)3 and 1,4-(CH3)SnOC(CF)32C6F [R] . Vij, A., Kirchmeier, R. L., Willett, R. D., 1994

机译：含有2,4,6-三 - （三氟甲基）苯1,4-双（全氟异丙氧基）四氟苯配体的三有机锡（Ⅳ）衍生物的固态溶液行为：2,4,6-（CF3）3C6H2sn的晶体分子结构（ C 6 H 5）3和1,4-（CH 3）snOC（CF）32C6F

Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C-60. Molecular structures of C60F18(CF3)(6) and C60F16(CF3)(6)

摘要

著录项

相似文献

相关主题

期刊订阅