光氧化蒽与C60富勒烯的4 + 2环加合物的晶体结构。

IF 0.9
Gábor Bortel, Eva Kováts, Gábor Oszlányi, Sándor Pekker
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引用次数: 0

摘要

该化合物5,6-[(1R,10S)-2,9-二氧杂环-[8.6.0(3,8).0(11,16)]六癸烷-1,10-二基]-(C60-Ih)[5,6]富勒烯甲烷-二硫酮0.1溶剂化物C74H10O2·0.1CS2在100 K时具有四角形(P42/n)对称性。它有一个独特的八元环,用两个O原子代替了原来的中心环。环加合键周围分子几何形状的扭曲与相关的富勒烯衍生物中所见的一致。加合物的紧密堆积形成部分充满无序二硫化碳溶剂分子的空腔。41%的空腔占比使加合物与溶剂的总比为1:0.103。反应步骤描述为光辅助单重态氧生成,过氧化物,环氧化物和二恶英衍生物的形成以及热活化环加成的最后一步。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene.

Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene.

Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene.

Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene.

The structure of the title compound, 5,6-[(1R,10S)-2,9-dioxatri-cyclo-[8.6.0(3,8).0(11,16)]hexa-decane-1,10-di-yl]-(C60-Ih)[5,6]fullerene methane-dithione 0.1-solvate, C74H10O2·0.1CS2, has tetra-gonal (P42/n) symmetry at 100 K. It has a unique eight-membered ring, with two incorporated O atoms in place of the original central ring of the anthracene. The distortion of the mol-ecular geometry around the cyclo-adduct bonds corresponds to that seen in related fullerene derivatives. Close packing of the adduct forms cavities partially filled with disordered carbon di-sulfide solvent mol-ecule. The 41% occupancy of the cavities yields an overall 1:0.103 adduct-solvent ratio. Reaction steps are described as light-assisted singlet-oxygen generation, peroxide, epoxide and dioxocin derivative formation and the final step of thermally activated cyclo-addition.

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来源期刊
自引率
33.30%
发文量
0
审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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